KEGG   COMPOUND: C00951
Entry
C00951                      Compound                               
Name
Estradiol-17beta;
Estradiol;
beta-Estradiol
Formula
C18H24O2
Exact mass
272.1776
Mol weight
272.38
Structure
Remark
Same as: D00105
Reaction
R00535 R02352 R02353 R03086 R03087 R03088 R03089 R03090
R03091 R10511
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map01522  Endocrine resistance
map04714  Thermogenesis
map04913  Ovarian steroidogenesis
map04915  Estrogen signaling pathway
map04917  Prolactin signaling pathway
map04929  GnRH secretion
map04961  Endocrine and other factor-regulated calcium reabsorption
map05200  Pathways in cancer
map05207  Chemical carcinogenesis - receptor activation
map05208  Chemical carcinogenesis - reactive oxygen species
map05215  Prostate cancer
map05224  Breast cancer
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Network
nt06019  Steroid hormone biosynthesis
nt06210  ERK signaling (cancer)
nt06227  Nuclear receptor signaling (cancer)
nt06251  CYP-mediated ROS formation (cancer)
nt06270  Breast cancer
nt06272  Prostate cancer
nt06323  KISS1-GnRH-LH/FSH-E2 signaling
Enzyme
1.1.1.51        1.1.1.62        1.14.14.1       1.14.14.14      
1.14.99.11      2.4.1.17        2.8.2.15
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C00951  Estradiol-17beta
 Hormones and transmitters
  Steroid hormones
   Estrogens
    C00951  Estradiol-17beta (E2)
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C00951  Estradiol-17beta
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA03 Estradiol
      D00105  Estradiol (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2473  Estradiols
     D00105  Estradiol (JAN/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00105  Estradiol (JAN/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
    D00105  Estradiol
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
    D00105  Estradiol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00105  Estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
     D00105  Estradiol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00105  Estradiol
  DG01584  Estrogen receptor agonist
   D00105  Estradiol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00105  Estradiol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00105  Estradiol (JAN/USP/INN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00105
Other DBs
CAS: 50-28-2
PubChem: 4202
ChEBI: 16469
LIPIDMAPS: LMST02010001
PDB-CCD: EST[PDBj]
NIKKAJI: J4.100I
LinkDB
KCF data

ATOM        20
            1   C1y C    29.8071  -16.8405
            2   C1y C    28.6258  -17.5189
            3   C1z C    29.8129  -15.4839
            4   C1x C    32.2219  -16.8697
            5   C1y C    27.4504  -16.8229
            6   C1x C    28.6258  -18.8813
            7   C1x C    28.6492  -14.7938
            8   C1y C    30.9999  -14.8172
            9   C1a C    29.8071  -14.1213
            10  C1x C    32.1696  -15.5130
            11  C8y C    26.2635  -17.5072
            12  C1x C    27.4621  -15.4662
            13  C1x C    27.4387  -19.5538
            14  O1a O    30.9942  -13.4489
            15  C8y C    26.2577  -18.8696
            16  C8x C    25.0823  -16.8229
            17  C8x C    25.0823  -19.5479
            18  C8x C    23.9069  -17.5072
            19  C8y C    23.9710  -18.8696
            20  O1a O    22.7139  -19.5479
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1

» Japanese version

KEGG   COMPOUND: C00410
Entry
C00410                      Compound                               
Name
Progesterone;
4-Pregnene-3,20-dione
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.46
Structure
Remark
Same as: D00066
Reaction
R02207 R02208 R02209 R02210 R02211 R02212 R02213 R02214
R02215 R02216 R02218 R02219 R09587
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04114  Oocyte meiosis
map04913  Ovarian steroidogenesis
map04914  Progesterone-mediated oocyte maturation
map04917  Prolactin signaling pathway
map04925  Aldosterone synthesis and secretion
map04927  Cortisol synthesis and secretion
map04934  Cushing syndrome
map05200  Pathways in cancer
map05207  Chemical carcinogenesis - receptor activation
map05215  Prostate cancer
map05224  Breast cancer
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Module
M00107  Steroid hormone biosynthesis, cholesterol => pregnenolone => progesterone
M00108  C21-Steroid hormone biosynthesis, progesterone => corticosterone/aldosterone
M00109  C21-Steroid hormone biosynthesis, progesterone => cortisol/cortisone
Network
nt06019  Steroid hormone biosynthesis
nt06210  ERK signaling (cancer)
nt06214  PI3K signaling (cancer)
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
Enzyme
1.1.1.145       1.1.1.149       1.3.1.3         1.3.1.22        
1.3.99.6        1.14.13.54      1.14.14.16      1.14.14.19      
1.14.15.4       1.14.15.8       1.14.99.4       1.14.99.14      
5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane derivatives
    C00410  Progesterone
 Hormones and transmitters
  Steroid hormones
   Progestagens
    C00410  Progesterone
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C00410  Progesterone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA04 Progesterone
      D00066  Progesterone (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Progestins
   Progesterone
    D00066  Progesterone (JP18/USP/INN)
 Infertility Agents
  Progesterone
   D00066  Progesterone (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2477  Progesterones
     D00066  Progesterone (JP18/USP/INN)
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9415  Luteinizing hormone and preparations
    C00410  Progesterone
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   D00066  Progesterone
  DG01666  Progesterone receptor agonist
   D00066  Progesterone
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   D00066  Progesterone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00066  Progesterone
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG02004  Progesterone
   D00066  Progesterone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D00066  Progesterone (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00066  Progesterone
  D00066  Progesterone injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00066
Other DBs
CAS: 57-83-0
PubChem: 3700
ChEBI: 17026
LIPIDMAPS: LMST02030159
KNApSAcK: C00034649
PDB-CCD: STR[PDBj]
NIKKAJI: J2.329I
LinkDB
KCF data

ATOM        23
            1   C1y C    23.0350  -18.9936
            2   C1y C    24.2088  -19.6769
            3   C1z C    21.8554  -19.6827
            4   C1x C    23.0233  -17.6271
            5   C1y C    25.4002  -18.9819
            6   C1x C    24.1913  -21.0784
            7   C2y C    21.8554  -21.0375
            8   C1x C    20.6873  -19.0112
            9   C1a C    21.8437  -18.2754
            10  C1x C    24.2030  -16.9322
            11  C1z C    25.4060  -17.6097
            12  C1x C    27.7653  -18.9936
            13  C1x C    23.0409  -21.7092
            14  C2x C    20.6873  -21.7150
            15  C1x C    19.5194  -19.6827
            16  C1y C    26.5974  -16.9263
            17  C1a C    25.3943  -16.2081
            18  C1x C    27.7712  -17.6213
            19  C5x C    19.5194  -21.0375
            20  C5a C    26.6032  -15.5948
            21  O5x O    18.3690  -21.6975
            22  C1a C    25.3885  -14.8823
            23  O5a O    27.8121  -14.8882
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1
            18   14  19 1
            19   16  20 1 #Up
            20   19  21 2
            21   20  22 1
            22   20  23 2
            23    7  13 1
            24   10  11 1
            25   15  19 1
            26   16  18 1

» Japanese version

KEGG   COMPOUND: C07653
Entry
C07653                      Compound                               
Name
Flutamide
Formula
C11H11F3N2O3
Exact mass
276.0722
Mol weight
276.21
Structure
Remark
Same as: D00586
Pathway
map05200  Pathways in cancer
map05215  Prostate cancer
Network
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB01 Flutamide
      D00586  Flutamide (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Flutamide
    D00586  Flutamide (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00586  Flutamide (JP18/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D00586  Flutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D00586  Flutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00586  Flutamide (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00586  Flutamide
Other DBs
CAS: 13311-84-7
PubChem: 9855
ChEBI: 5132
NIKKAJI: J8.099C
LinkDB
KCF data

ATOM        19
            1   C8x C    37.4824  -21.0933
            2   C8y C    38.6779  -20.4604
            3   C8x C    36.2166  -20.4604
            4   C8y C    38.6779  -19.0539
            5   N2b N    39.8733  -21.0933 #+
            6   C8y C    36.2166  -19.0539
            7   C8x C    37.4824  -18.3507
            8   O3a O    39.8733  -22.4997
            9   O3a O    41.1391  -20.3901 #-
            10  N1b N    35.0211  -18.3507
            11  C5a C    33.8257  -19.0539
            12  C1c C    32.6302  -18.3507
            13  O5a O    33.8257  -20.3901
            14  C1a C    31.3644  -19.0539
            15  C1a C    32.6302  -16.9443
            16  C1d C    39.8987  -18.3557
            17  X   F    41.1167  -17.6524
            18  X   F    39.1955  -17.1377
            19  X   F    40.6020  -19.5737
BOND        19
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1
            15    6   7 1
            16    4  16 1
            17   16  17 1
            18   16  18 1
            19   16  19 1

» Japanese version

KEGG   COMPOUND: C01227
Entry
C01227                      Compound                               
Name
Dehydroepiandrosterone;
3beta-Hydroxyandrost-5-en-17-one;
Dehydroisoandrosterone;
DHA;
DHEA
Formula
C19H28O2
Exact mass
288.2089
Mol weight
288.42
Structure
Remark
Same as: D08409
Reaction
R01837 R03404 R03405 R03406 R03407 R03408 R08517 R08961
R09957
Pathway
map00140  Steroid hormone biosynthesis
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map04913  Ovarian steroidogenesis
map05200  Pathways in cancer
map05215  Prostate cancer
Module
M00110  C19/C18-Steroid hormone biosynthesis, pregnenolone => androstenedione => estrone
M00976  C19-Steroid hormone biosynthesis, pregnenolone => testosterone => dihydrotestosterone
Network
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
Enzyme
1.1.1.51        1.1.1.145       1.14.14.1       1.14.14.23      
1.14.14.32      1.14.14.-       2.8.2.2         3.1.6.2         
5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  19-Carbon atoms
   Androstane derivatives
    C01227  Dehydroepiandrosterone
 Hormones and transmitters
  Steroid hormones
   Androgens
    C01227  Dehydroepiandrosterone
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0202 C19 steroids (androgens) and derivatives
    C01227  3beta-Hydroxyandrost-5-en-17-one
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A14 ANABOLIC AGENTS FOR SYSTEMIC USE
   A14A ANABOLIC STEROIDS
    A14AA Androstan derivatives
     A14AA07 Prasterone
      D08409  Prasterone (USAN/INN) <US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XX Other sex hormones and modulators of the genital system
     G03XX01 Prasterone
      D08409  Prasterone (USAN/INN) <US>
USP drug classification [BR:br08302]
 Sexual Disorder Agents
  Sexual Disorder Agents (Female)
   Prasterone
    D08409  Prasterone (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG00141  Prasterone
     D08409  Prasterone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08409  Prasterone (USAN/INN) <US>
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08409  Prasterone (USAN/INN) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08409
Other DBs
CAS: 53-43-0
PubChem: 4449
ChEBI: 28689
LIPIDMAPS: LMST02020021
PDB-CCD: AND[PDBj]
NIKKAJI: J4.147E
LinkDB
KCF data

ATOM        21
            1   C1y C    30.0061  -18.0011
            2   C1y C    28.8345  -17.3309
            3   C1y C    31.1833  -17.3076
            4   C1x C    30.0177  -19.3592
            5   C1z C    27.6745  -18.0070
            6   C1x C    28.8577  -15.9611
            7   C1z C    31.1192  -15.9554
            8   C1x C    33.5380  -17.2900
            9   C2x C    28.8462  -20.0237
            10  C2y C    27.6745  -19.3533
            11  C1x C    26.5206  -17.3483
            12  C1a C    27.6921  -16.4975
            13  C1x C    30.0001  -15.2734
            14  C5x C    32.3724  -15.2676
            15  C1a C    31.1833  -14.3001
            16  C1x C    33.5497  -15.9611
            17  C1x C    26.5089  -20.0237
            18  C1x C    25.3491  -18.0070
            19  O5x O    32.3665  -13.9445
            20  C1y C    25.3491  -19.3533
            21  O1a O    24.2066  -20.0061
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 2
            19   17  20 1
            20   20  21 1 #Up
            21    7  13 1
            22    9  10 2
            23   14  16 1
            24   18  20 1

» Japanese version

KEGG   COMPOUND: C00280
Entry
C00280                      Compound                               
Name
Androstenedione;
Androst-4-ene-3,17-dione;
4-Androstene-3,17-dione
Formula
C19H26O2
Exact mass
286.1933
Mol weight
286.41
Structure
Remark
Same as: D00051
Reaction
R01833 R01834 R01835 R01836 R01837 R01838 R01840 R01842
R02725 R08205 R08206 R08518 R09884 R09919 R09955 R10242
R10515
Pathway
map00140  Steroid hormone biosynthesis
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01522  Endocrine resistance
map04913  Ovarian steroidogenesis
map04917  Prolactin signaling pathway
map05200  Pathways in cancer
map05215  Prostate cancer
Module
M00110  C19/C18-Steroid hormone biosynthesis, pregnenolone => androstenedione => estrone
M00976  C19-Steroid hormone biosynthesis, pregnenolone => testosterone => dihydrotestosterone
Network
nt06019  Steroid hormone biosynthesis
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
Enzyme
1.1.1.51        1.1.1.64        1.1.1.145       1.1.1.239       
1.3.1.3         1.3.1.22        1.3.99.4        1.3.99.5        
1.14.13.54      1.14.14.1       1.14.14.14      1.14.14.32      
1.14.15.4       1.14.99.12      5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  19-Carbon atoms
   Androstane derivatives
    C00280  Androstenedione
 Hormones and transmitters
  Steroid hormones
   Androgens
    C00280  Androstenedione
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0202 C19 steroids (androgens) and derivatives
    C00280  Androst-4-ene-3,17-dione
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Androstane
    C00280  Androstenedione
Other DBs
CAS: 63-05-8
PubChem: 3575
ChEBI: 16422
LIPIDMAPS: LMST02020007
KNApSAcK: C00003644
PDB-CCD: ASD[PDBj]
NIKKAJI: J38.388K
LinkDB
KCF data

ATOM        21
            1   C1x C    19.6989  -15.2222
            2   C5x C    19.6989  -16.5853
            3   C2x C    20.8793  -17.2668
            4   C2y C    22.0598  -16.5853
            5   C1z C    22.0598  -15.2222
            6   C1x C    20.8793  -14.5407
            7   C1x C    23.2402  -17.2668
            8   C1x C    24.4206  -16.5853
            9   C1y C    24.4206  -15.2222
            10  C1y C    23.2402  -14.5407
            11  C1y C    25.6011  -14.5407
            12  C1z C    25.6011  -13.1776
            13  C1x C    24.4206  -12.4961
            14  C1x C    23.2402  -13.1776
            15  C1x C    27.9619  -14.5407
            16  C1x C    27.9619  -13.1776
            17  C5x C    26.7815  -12.4961
            18  O5x O    18.5185  -17.2668
            19  O5x O    26.7815  -11.1331
            20  C1a C    22.0598  -13.8592
            21  C1a C    25.6011  -11.8146
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22   17  19 2
            23    5  20 1 #Up
            24   12  21 1 #Up

» Japanese version

KEGG   COMPOUND: C00735
Entry
C00735                      Compound                               
Name
Cortisol;
Hydrocortisone;
11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione;
Kendall's compound F;
Reichstein's substance M
Formula
C21H30O5
Exact mass
362.2093
Mol weight
362.46
Structure
Remark
Same as: D00088
Reaction
R02834 R02836 R02837 R02838 R02839 R02840 R02841 R02843
R08995
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04927  Cortisol synthesis and secretion
map04934  Cushing syndrome
map04960  Aldosterone-regulated sodium reabsorption
map04976  Bile secretion
map05200  Pathways in cancer
map05215  Prostate cancer
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Module
M00109  C21-Steroid hormone biosynthesis, progesterone => cortisol/cortisone
Network
nt06019  Steroid hormone biosynthesis
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
nt06310  CRH-ACTH-cortisol signaling
nt06360  Cushing syndrome
Enzyme
1.1.1.145       1.1.1.146       1.1.1.-         1.3.1.3         
1.14.14.16      1.14.15.4       2.3.1.27        2.8.2.18        
5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane derivatives
    C00735  Cortisol
 Hormones and transmitters
  Steroid hormones
   Glucocorticoids
    C00735  Cortisol
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C00735  Cortisol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AC Corticosteroids for local oral treatment
     A01AC03 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA02 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA01 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA02 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA01 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB09 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA02 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB03 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA01 Hydrocortisone
      D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Dermatitis and Pruitus Agents
   Glucocorticoids, Low Potency
    Hydrocortisone
     D00088  Hydrocortisone (JP18/USP/INN)
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Hydrocortisone
   D00088  Hydrocortisone (JP18/USP/INN)
 Inflammatory Bowel Disease Agents
  Glucocorticoids
   Hydrocortisone
    D00088  Hydrocortisone (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   245  Adrenal hormone preparations
    2452  Cortisones
     D00088  Hydrocortisone (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00088  Hydrocortisone (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Hydrocortisone
    D00088  Hydrocortisone (JP18/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Hydrocortisone
    D00088  Hydrocortisone (JP18/USP/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00012  Hydrocortisone
     D00088  Hydrocortisone
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00088  Hydrocortisone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00012  Hydrocortisone
    D00088  Hydrocortisone
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01955  Corticosteroid
   D00088  Hydrocortisone
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00088  Hydrocortisone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D00088  Hydrocortisone (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00088  Hydrocortisone
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00088
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00088
Topical steroids potency [br08317.html]
 Classification in the USA
  D00088
Rx-to-OTC switch list in the USA [br08315.html]
 D00088
Other DBs
CAS: 50-23-7
PubChem: 3998
ChEBI: 17650 180955
LIPIDMAPS: LMST02030001
PDB-CCD: HCY[PDBj]
NIKKAJI: J1.908I
LinkDB
KCF data

ATOM        26
            1   C1y C    25.3915  -16.8055
            2   C1y C    24.2081  -17.4875
            3   C1z C    25.3915  -15.4414
            4   C1x C    27.7583  -16.8055
            5   C1y C    23.0247  -16.8055
            6   C1x C    24.1965  -18.8575
            7   C1z C    26.5809  -14.7535
            8   C1x C    24.2081  -14.7535
            9   C1a C    25.3858  -14.0713
            10  C1x C    27.7583  -15.4414
            11  C1z C    21.8356  -17.4875
            12  C1y C    23.0247  -15.4414
            13  C1x C    23.0247  -19.5395
            14  C5a C    26.5866  -13.3893
            15  C2y C    21.8356  -18.8575
            16  C1x C    20.6579  -16.8055
            17  C1a C    21.8239  -16.1233
            18  O1a O    21.8356  -14.7535
            19  C1b C    27.7643  -12.7072
            20  O5a O    25.3975  -12.7072
            21  C2x C    20.6579  -19.5395
            22  C1x C    19.4687  -17.4875
            23  O1a O    28.9534  -13.3951
            24  C5x C    19.4687  -18.8575
            25  O5x O    18.2853  -19.5395
            26  O1a O    27.9332  -14.3911
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1 #Up
            18   14  19 1
            19   14  20 2
            20   15  21 2
            21   16  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 2
            25    7  10 1
            26    8  12 1
            27   13  15 1
            28   22  24 1
            29    7  26 1 #Down

» Japanese version

KEGG   COMPOUND: C00762
Entry
C00762                      Compound                               
Name
Cortisone;
17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione;
Kendall's compound E;
Reichstein's substance Fa
Formula
C21H28O5
Exact mass
360.1937
Mol weight
360.44
Structure
Remark
Same as: D07749
Reaction
R02834 R02836 R02892 R02893
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map04960  Aldosterone-regulated sodium reabsorption
map05200  Pathways in cancer
map05215  Prostate cancer
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Module
M00109  C21-Steroid hormone biosynthesis, progesterone => cortisol/cortisone
Network
nt06019  Steroid hormone biosynthesis
nt06227  Nuclear receptor signaling (cancer)
nt06272  Prostate cancer
Enzyme
1.1.1.146       1.1.1.-         1.3.1.3         1.3.1.22
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane derivatives
    C00762  Cortisone
 Hormones and transmitters
  Steroid hormones
   Glucocorticoids
    C00762  Cortisone
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C00762  Cortisone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB10 Cortisone
      D07749  Cortisone (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA03 Cortisone
      D07749  Cortisone (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00509  Cortisone
     D07749  Cortisone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07749  Cortisone (INN)
Other DBs
CAS: 53-06-5
PubChem: 4024
ChEBI: 16962
LIPIDMAPS: LMST02030090
PDB-CCD: UQC[PDBj]
NIKKAJI: J4.139D
LinkDB
KCF data

ATOM        26
            1   C1x C     5.6756  -16.9748
            2   C5x C     5.6756  -18.3385
            3   C2x C     6.8565  -19.0203
            4   C2y C     8.0376  -18.3385
            5   C1z C     8.0376  -16.9748
            6   C1x C     6.8565  -16.2929
            7   C1x C     9.2185  -19.0203
            8   C1x C    10.3994  -18.3385
            9   C1y C    10.3994  -16.9748
            10  C1y C     9.2185  -16.2929
            11  C1y C    11.5805  -16.2929
            12  C1z C    11.5805  -14.9293
            13  C1x C    10.3994  -14.2474
            14  C5x C     9.2185  -14.9293
            15  C1x C    13.9424  -16.2929
            16  C1x C    13.9424  -14.9293
            17  C1z C    12.7614  -14.2474
            18  C1a C     8.0376  -15.6111
            19  C1a C    11.5805  -13.5656
            20  C5a C    12.7614  -12.5429
            21  O5x O     4.4946  -19.0203
            22  O5x O     8.0395  -14.2486
            23  C1b C    13.9464  -11.8588
            24  O5a O    11.5844  -11.8633
            25  O1a O    13.9424  -13.5656
            26  O1a O    15.1128  -12.5323
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   12  19 1 #Up
            23   17  20 1 #Up
            24    2  21 2
            25   14  22 2
            26   20  23 1
            27   20  24 2
            28   17  25 1 #Down
            29   23  26 1

» Japanese version

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