KEGG   COMPOUND: C00762Help
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
360.444
Structure
Mol fileKCF fileDB search
Remark
Same as: D07749
Reaction
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
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, progestogens) 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)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07749  Cortisone (INN)
BRITE hierarchy
Other DBs
CAS: 53-06-5
PubChem: 4024
ChEBI: 16962
ChEMBL: CHEMBL1499 CHEMBL536 CHEMBL68363
LIPIDMAPS: LMST02030090
LipidBank: SST0042
3DMET: B01327
NIKKAJI: J4.139D
LinkDB All DBs
KCF data Show

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

KEGG   DRUG: CortisoneHelp
Entry
D07749                      Drug                                   

Name
Cortisone (INN);
Cortisone (TN)
Formula
C21H28O5
Exact mass
360.1937
Mol weight
360.444
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C00762
ATC code: H02AB10 S01BA03
Chemical structure group: DG00509
Product (DG00509): D00973<JP/US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
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)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07749  Cortisone (INN)
BRITE hierarchy
Other DBs
CAS: 53-06-5
PubChem: 51092041
ChEBI: 16962
ChEMBL: CHEMBL1499 CHEMBL536 CHEMBL68363
LigandBox: D07749
NIKKAJI: J4.139D
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1x C    20.0900  -19.4600
            2   C5x C    20.0900  -20.7900
            3   C2x C    21.2800  -21.4900
            4   C2y C    22.4000  -20.7900
            5   C1z C    22.4000  -19.4600
            6   C1x C    21.2800  -18.7600
            7   C1x C    23.5900  -21.4900
            8   C1x C    24.7800  -20.7900
            9   C1y C    24.7800  -19.4600
            10  C1y C    23.5900  -18.7600
            11  C1y C    25.9700  -18.7600
            12  C1z C    25.9700  -17.4300
            13  C1x C    24.7800  -16.7300
            14  C5x C    23.5900  -17.4300
            15  C1x C    28.2800  -18.7600
            16  C1x C    28.2800  -17.4300
            17  C1z C    27.1600  -16.7300
            18  C1a C    22.4000  -18.0600
            19  C1a C    25.9700  -16.0300
            20  C5a C    27.1600  -15.0500
            21  O5x O    18.9000  -21.4900
            22  O5x O    22.4000  -16.7300
            23  C1b C    28.3500  -14.3500
            24  O5a O    25.9700  -14.3500
            25  O1a O    28.2800  -16.0300
            26  O1a O    29.4700  -14.9800
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   » Back

KEGG   DRUG: Cortisone acetateHelp
Entry
D00973                      Drug                                   

Name
Cortisone acetate (JP17/USP);
Cortone acetate (TN)
Product
  Generic
Formula
C23H30O6
Exact mass
402.2042
Mol weight
402.4807
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C08173
Therapeutic category: 2452
ATC code: H02AB10 S01BA03
Chemical structure group: DG00509
Product (DG00509): D00973<JP/US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
  Disease
Congenital adrenal hyperplasia [DS:H00216]
Psoriatic arthritis [DS:H01507]
Rheumatoid arthritis [DS:H00630]
Juvenile rheumatoid arthritis [DS:H01672]
Ankylosing spondylitis [DS:H01674]
Gouty arthritis [DS:H01532]
Systemic lupus erythematosus [DS:H00080]
Dermatomyositis and polymyositis [DS:H01604]
Ulcerative colitis [DS:H01466]
Pemphigus [DS:H01648]
Bullous dermatitis herpetiformis [DS:H01362]
Erythema multiforme [DS:H01695]
Stevens-Johnson syndrome [DS:H01694]
Mycosis fungoides [DS:H01463]
Severe psoriasis [DS:H01656]
Severe seborrheic dermatitis [DS:H01652]
Seasonal or perennial allergic rhinitis [DS:H01360]
Bronchial asthma [DS:H00079]
Contact dermatitis [DS:H01357]
Atopic dermatitis [DS:H01358]
Herpes zoster ophthalmicus [DS:H00366]
Optic neuritis [DS:H01717]
Acquired (autoimmune) hemolytic anemia [DS:H01585]
Pulmonary tuberculosis [DS:H00342]
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
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
      D00973  Cortisone acetate (JP17/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA03 Cortisone
      D00973  Cortisone acetate (JP17/USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Cortisone
   D00973  Cortisone acetate (JP17/USP)
 Inflammatory Bowel Disease Agents
  Glucocorticoids
   Cortisone
    D00973  Cortisone acetate (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   245  Adrenal hormone preparations
    2452  Cortisones
     D00973  Cortisone acetate (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00973  Cortisone acetate (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Cortisone acetate
    D00973  Cortisone acetate (JP17/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Cortisone acetate
    D00973  Cortisone acetate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D00973  Cortisone acetate (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00973  Cortisone acetate
BRITE hierarchy
Other DBs
CAS: 50-04-4
PubChem: 7848036
ChEBI: 3897
ChEMBL: CHEMBL110054 CHEMBL1650
DrugBank: DB01380
LigandBox: D00973
NIKKAJI: J2.792H
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C     5.1800   -9.4500
            2   C5x C     5.1800  -10.8500
            3   C2x C     6.3924  -11.5500
            4   C2y C     7.6049  -10.8500
            5   C1z C     7.6049   -9.4500
            6   C1x C     6.3924   -8.7500
            7   C1x C     8.8173  -11.5500
            8   C1x C    10.0297  -10.8500
            9   C1y C    10.0297   -9.4500
            10  C1y C     8.8173   -8.7500
            11  C1y C    11.2422   -8.7500
            12  C1z C    11.2422   -7.3500
            13  C1x C    10.0297   -6.6500
            14  C5x C     8.8173   -7.3500
            15  C1x C    13.6670   -8.7500
            16  C1x C    13.6670   -7.3500
            17  C1z C    12.4546   -6.6500
            18  C1a C     7.6049   -8.0500
            19  C1a C    11.2422   -5.9500
            20  C5a C    12.4546   -4.9000
            21  O5x O     3.9676  -11.5500
            22  O5x O     7.6069   -6.6512
            23  C1b C    13.6711   -4.1977
            24  O5a O    11.2462   -4.2023
            25  O1a O    13.6670   -5.9500
            26  O7a O    14.8686   -4.8892
            27  C7a C    16.0549   -4.2043
            28  C1a C    17.2467   -4.8926
            29  O6a O    16.0551   -2.8002
BOND        32
            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
            30   26  27 1
            31   27  28 1
            32   27  29 2

» Japanese version   » Back

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