KEGG   COMPOUND: C05141
Entry
C05141                      Compound                               
Name
Estriol;
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.38
Structure
Remark
Same as: D00185
Reaction
R03089 R04681 R04682 R04683
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Enzyme
1.1.1.62        1.14.14.1       2.4.1.17
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C05141  Estriol
 Hormones and transmitters
  Steroid hormones
   Estrogens
    C05141  Estriol (E3)
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C05141  Estriol
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
     G03CA04 Estriol
      D00185  Estriol (JP18/USP) <JP>
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D00185  Estriol (JP18/USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2475  Estriols
     D00185  Estriol (JP18/USP)
  25  Urogenital and anal organ agents
   252  Genital organ agents
    2529  Others
     D00185  Estriol (JP18/USP)
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9414  Follicle stimulating hormone and preparations
    C05141  Estriol
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D00185  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D00185  Estriol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00185  Estriol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00185  Estriol
  DG01584  Estrogen receptor agonist
   D00185  Estriol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00185  Estriol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00185  Estriol (JP18/USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00185  Estriol
  D00185  Estriol tablets
  D00185  Estriol injection (aqueous suspension)
Other DBs
CAS: 50-27-1
PubChem: 7560
ChEBI: 27974
LIPIDMAPS: LMST02010003
PDB-CCD: ESL[PDBj]
NIKKAJI: J4.099A
LinkDB
KCF data

ATOM        21
            1   C1y C    23.5304  -17.3600
            2   C1y C    22.3397  -18.0510
            3   C1z C    23.5304  -15.9842
            4   C1x C    25.9056  -17.3661
            5   C1y C    21.1551  -17.3723
            6   C1x C    22.3460  -19.4205
            7   C1y C    24.7273  -15.2932
            8   C1x C    22.3336  -15.3055
            9   C1a C    23.4255  -14.5838
            10  C1y C    25.9119  -15.9904
            11  C8y C    19.9768  -18.0572
            12  C1x C    21.1675  -15.9287
            13  C1x C    21.1614  -20.0992
            14  O1a O    24.7273  -13.9544
            15  O1a O    27.0779  -15.3241
            16  C8y C    19.9768  -19.4145
            17  C8x C    18.7985  -17.3908
            18  C8x C    18.7985  -20.1054
            19  C8x C    17.6386  -18.0572
            20  C8y C    17.6386  -19.4145
            21  O1a O    16.4726  -20.0807
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     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   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1

» Japanese version

KEGG   DRUG: Estriol
Entry
D00185                      Drug                                   
Name
Estriol (JP18/USP);
Estriel (TN)
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.38
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
Remark
Same as: C05141
Therapeutic category: 2475 2529
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Interaction
Structure map
map07047  Osteoporosis drugs
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
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
     G03CA04 Estriol
      D00185  Estriol (JP18/USP) <JP>
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D00185  Estriol (JP18/USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2475  Estriols
     D00185  Estriol (JP18/USP)
  25  Urogenital and anal organ agents
   252  Genital organ agents
    2529  Others
     D00185  Estriol (JP18/USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D00185  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D00185  Estriol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00185  Estriol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00185  Estriol
  DG01584  Estrogen receptor agonist
   D00185  Estriol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00185  Estriol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00185  Estriol (JP18/USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00185  Estriol
  D00185  Estriol tablets
  D00185  Estriol injection (aqueous suspension)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 50-27-1
PubChem: 7847253
ChEBI: 27974
PDB-CCD: ESL[PDBj]
LigandBox: D00185
NIKKAJI: J4.099A
LinkDB
KCF data

ATOM        21
            1   C1y C    23.5304  -17.3600
            2   C1y C    22.3397  -18.0510
            3   C1z C    23.5304  -15.9842
            4   C1x C    25.9056  -17.3661
            5   C1y C    21.1551  -17.3723
            6   C1x C    22.3460  -19.4205
            7   C1y C    24.7273  -15.2932
            8   C1x C    22.3336  -15.3055
            9   C1a C    23.4255  -14.5838
            10  C1y C    25.9119  -15.9904
            11  C8y C    19.9768  -18.0572
            12  C1x C    21.1675  -15.9287
            13  C1x C    21.1614  -20.0992
            14  O1a O    24.7273  -13.9544
            15  O1a O    27.0779  -15.3241
            16  C8y C    19.9768  -19.4145
            17  C8x C    18.7985  -17.3908
            18  C8x C    18.7985  -20.1054
            19  C8x C    17.6386  -18.0572
            20  C8y C    17.6386  -19.4145
            21  O1a O    16.4726  -20.0807
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     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   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1

» Japanese version   » Back

KEGG   DRUG: Estriol tripropionate
Entry
D01986                      Drug                                   
Name
Estriol tripropionate (JAN);
Estriol (TN)
Formula
C27H36O6
Exact mass
456.2512
Mol weight
456.57
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
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
     G03CA04 Estriol
      D01986  Estriol tripropionate (JAN)
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D01986  Estriol tripropionate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D01986  Estriol tripropionate
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D01986  Estriol tripropionate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01986  Estriol tripropionate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 2236-31-9
PubChem: 7849048
ChEBI: 188607
LigandBox: D01986
NIKKAJI: J21.490F
LinkDB
KCF data

ATOM        33
            1   C1y C    25.4800  -28.0700
            2   C1y C    24.2900  -28.7700
            3   C1z C    25.4800  -26.6700
            4   C1x C    27.8600  -28.0700
            5   C1y C    23.1000  -28.0700
            6   C1x C    24.2900  -30.1000
            7   C1y C    26.6700  -25.9700
            8   C1x C    24.2900  -26.0400
            9   C1y C    27.8600  -26.6700
            10  C8y C    21.9100  -28.7700
            11  C1x C    23.1000  -26.6700
            12  C1x C    23.1000  -30.8000
            13  O7a O    29.0500  -26.0400
            14  C8y C    21.9100  -30.1000
            15  C8x C    20.7900  -28.0700
            16  C8x C    20.7900  -30.8000
            17  C8x C    19.6000  -28.7700
            18  C8y C    19.6000  -30.1000
            19  C1a C    25.4800  -25.2700
            20  O7a O    26.6700  -24.5700
            21  C7a C    27.8600  -23.8700
            22  C1b C    29.0500  -24.5700
            23  C1a C    30.2400  -23.8700
            24  O6a O    27.8600  -22.4700
            25  C7a C    30.2400  -26.7400
            26  C1b C    31.4300  -26.0400
            27  O6a O    30.2400  -28.1400
            28  C1a C    32.6200  -26.7400
            29  O7a O    18.3847  -30.7951
            30  C7a C    17.1963  -30.1023
            31  C1b C    15.9999  -30.7865
            32  C1a C    14.8187  -30.0981
            33  O6a O    17.2020  -28.7001
BOND        36
            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    6  12 1
            12    9  13 1 #Down
            13   10  14 2
            14   10  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7   9 1
            19    8  11 1
            20   12  14 1
            21   17  18 1
            22    3  19 1 #Up
            23    7  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   21  24 2
            28   13  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   18  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   30  33 2

» Japanese version   » Back

KEGG   DRUG: Estriol diacetate benzoate
Entry
D01989                      Drug                                   
Name
Estriol diacetate benzoate (JAN);
Estriol benzoate diacetate;
Holin (TN)
Formula
C29H32O6
Exact mass
476.2199
Mol weight
476.56
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
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
     G03CA04 Estriol
      D01989  Estriol diacetate benzoate (JAN)
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D01989  Estriol diacetate benzoate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D01989  Estriol diacetate benzoate
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D01989  Estriol diacetate benzoate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01989  Estriol diacetate benzoate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 2508-47-6
PubChem: 7849051
ChEBI: 188896
LigandBox: D01989
NIKKAJI: J28.128J
LinkDB
KCF data

ATOM        35
            1   C8x C    16.3800  -31.6400
            2   C8y C    16.3800  -33.0400
            3   C8x C    17.5924  -33.7400
            4   C8y C    18.8049  -33.0400
            5   C8y C    18.8049  -31.6400
            6   C8x C    17.5924  -30.9400
            7   C1x C    20.0173  -33.7400
            8   C1x C    21.2297  -33.0400
            9   C1y C    21.2297  -31.6400
            10  C1y C    20.0173  -30.9400
            11  C1y C    22.4422  -30.9400
            12  C1z C    22.4422  -29.5400
            13  C1x C    21.2297  -28.8400
            14  C1x C    20.0173  -29.5400
            15  C1x C    24.8670  -30.9400
            16  C1y C    24.8670  -29.5400
            17  C1y C    23.6546  -28.8400
            18  O7a O    15.1676  -33.7400
            19  C7a C    13.9721  -33.0496
            20  C8y C    12.7847  -33.7351
            21  O6a O    13.9720  -31.6403
            22  C8x C    11.5935  -33.0471
            23  C8x C    10.3810  -33.7469
            24  C8x C    10.3808  -35.1469
            25  C8x C    11.5720  -35.8349
            26  C8x C    12.7845  -35.1351
            27  O7a O    23.6546  -27.4400
            28  C7a C    24.8711  -26.7377
            29  C1a C    26.0686  -27.4292
            30  O6a O    24.8711  -25.3402
            31  O7a O    26.0666  -28.8473
            32  C7a C    27.2559  -29.5340
            33  C1a C    28.4462  -28.8466
            34  O6a O    27.2560  -30.9398
            35  C1a C    22.4422  -28.1400
BOND        39
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            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 1
            22   18  19 1
            23   19  20 1
            24   19  21 2
            25   20  22 2
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   20  26 1
            31   17  27 1 #Up
            32   27  28 1
            33   28  29 1
            34   28  30 2
            35   16  31 1 #Down
            36   31  32 1
            37   32  33 1
            38   32  34 2
            39   12  35 1 #Up

» Japanese version   » Back

KEGG   DRUG: Estriol succinate
Entry
D07920                      Drug                                   
Name
Estriol succinate;
Estriol 16alfa, 17beta-di (hydrogen succinate);
Sinapause (TN)
Formula
C26H32O9
Exact mass
488.2046
Mol weight
488.53
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
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
     G03CA04 Estriol
      D07920  Estriol succinate
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D07920  Estriol succinate
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D07920  Estriol succinate
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D07920  Estriol succinate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07920  Estriol succinate
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 514-68-1
PubChem: 96024616
LigandBox: D07920
NIKKAJI: J152.182I
LinkDB
KCF data

ATOM        35
            1   C1y C    24.6400  -23.3100
            2   C1y C    23.4500  -24.0100
            3   C1z C    24.6400  -21.9100
            4   C1x C    27.0200  -23.3100
            5   C1y C    22.2600  -23.3100
            6   C1x C    23.4500  -25.3400
            7   C1y C    25.8300  -21.1400
            8   C1x C    23.4500  -21.2800
            9   C1a C    24.6400  -20.4400
            10  C1y C    27.0200  -21.9100
            11  C8y C    21.0000  -24.0100
            12  C1x C    22.2600  -21.9100
            13  C1x C    22.2600  -26.0400
            14  O7a O    25.8300  -19.4600
            15  C8y C    21.0000  -25.3400
            16  C8x C    19.8800  -23.3100
            17  C8x C    19.8800  -26.0400
            18  C8x C    18.6900  -24.0100
            19  C8y C    18.6900  -25.3400
            20  O1a O    17.5000  -26.0400
            21  O7a O    28.2498  -21.2410
            22  C7a C    29.4516  -21.9764
            23  C1b C    30.6941  -21.3006
            24  C1b C    31.8543  -22.0105
            25  C6a C    33.0935  -21.3368
            26  O6a O    34.3055  -22.0785
            27  O6a O    33.1291  -19.9501
            28  O6a O    29.4858  -23.3789
            29  C7a C    27.0424  -18.7600
            30  C1b C    28.2379  -19.4504
            31  O6a O    27.0425  -17.3602
            32  C1b C    29.4253  -18.7649
            33  C6a C    30.6165  -19.4529
            34  O6a O    31.8060  -18.7662
            35  O6a O    30.6165  -20.8597
BOND        38
            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 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  10 1
            21    8  12 1
            22   13  15 1
            23   18  19 1
            24   10  21 1 #Down
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 2
            32   14  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2

» Japanese version   » Back

KEGG   DRUG: Estriol sodium succinate
Entry
D07921                      Drug                                   
Name
Estriol sodium succinate (BAN);
Estriol 16alpha, 17beta-di (sodium succinate);
Styptanon (TN)
Formula
C26H30O9. 2Na
Exact mass
532.1685
Mol weight
532.49
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
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
     G03CA04 Estriol
      D07921  Estriol sodium succinate (BAN)
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D07921  Estriol sodium succinate (BAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D07921  Estriol sodium succinate
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D07921  Estriol sodium succinate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07921  Estriol sodium succinate (BAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 113-22-4
PubChem: 96024617
LigandBox: D07921
LinkDB
KCF data

ATOM        37
            1   C1y C    24.1500  -21.2100
            2   C1y C    22.8900  -21.9100
            3   C1z C    24.1500  -19.8100
            4   C1x C    26.5300  -21.2100
            5   C1y C    21.7000  -21.2100
            6   C1x C    22.8900  -23.3100
            7   C1y C    25.3400  -19.0400
            8   C1x C    22.8900  -19.1800
            9   C1a C    24.0800  -18.3400
            10  C1y C    26.5300  -19.8100
            11  C8y C    20.4400  -21.9100
            12  C1x C    21.7000  -19.8100
            13  C1x C    21.7000  -24.0100
            14  O7a O    25.3400  -17.4300
            15  O7a O    27.7900  -19.1800
            16  C8y C    20.4400  -23.3100
            17  C8x C    19.3200  -21.2100
            18  C8x C    19.3200  -24.0100
            19  C8x C    18.1300  -21.9100
            20  C8y C    18.1300  -23.3100
            21  O1a O    16.9400  -24.0100
            22  C7a C    28.9800  -19.8800
            23  C1b C    30.1700  -19.2500
            24  C1b C    31.4300  -20.0200
            25  C6a C    32.6900  -19.3200
            26  O6a O    33.9500  -20.0900 #-
            27  O6a O    32.6900  -17.9200
            28  O6a O    28.9800  -21.3500
            29  C7a C    26.5524  -16.7300
            30  C1b C    27.7479  -17.4204
            31  O6a O    26.5525  -15.3302
            32  C1b C    28.9353  -16.7349
            33  C6a C    30.1265  -17.4229
            34  O6a O    31.3160  -16.7362 #-
            35  O6a O    30.1265  -18.8297
            36  Z   Na   30.9400  -15.4000 #+
            37  Z   Na   35.7700  -20.2300 #+
BOND        38
            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   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1
            25   15  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 2
            32   14  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2

» Japanese version   » Back

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