KEGG   DRUG: Diethylstilbestrol diphosphateHelp
Entry
D00946                      Drug                                   

Name
Diethylstilbestrol diphosphate (USP);
Fosfestrol (JAN/INN);
Stilphostrol (TN)
Formula
C18H22O8P2
Exact mass
428.079
Mol weight
428.31
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Other
 DG01584  Estrogen receptor agonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Estrogen receptor agonist
Comment
Active form of prodrug: Diethylstilbestrol [DR:D00577]
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550];
NR3A2 (ESR2) [HSA:2100] [KO:K08551]
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
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
    G03CB Synthetic estrogens, plain
     G03CB02 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
    G03CC Estrogens, combinations with other drugs
     G03CC05 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA01 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
     L02AA04 Fosfestrol
      D00946  Diethylstilbestrol diphosphate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
    estrogen receptor 2
     Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Stilbenoids
   Stilbenes
    D00946  Fosfestrol (JP15/INN); Diethylstilbestrol diphosphate (USP)
BRITE hierarchy
Other DBs
CAS: 
522-40-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C2c C    17.1859  -16.2286
            2   C2c C    17.1976  -17.6216
            3   C8y C    15.9677  -15.5350
            4   C1b C    18.3983  -15.5234
            5   C8y C    18.4099  -18.3211
            6   C1b C    15.9909  -18.3211
            7   C8x C    14.7553  -16.2286
            8   C8x C    15.9677  -14.1301
            9   C1a C    19.6109  -16.2169
            10  C8x C    18.4099  -19.7201
            11  C8x C    19.6225  -17.6159
            12  C1a C    14.7786  -17.6275
            13  C8x C    13.5428  -15.5350
            14  C8x C    14.7553  -13.4248
            15  C8x C    19.6283  -20.4196
            16  C8x C    20.8408  -18.3153
            17  C8y C    13.5428  -14.1301
            18  C8y C    20.8408  -19.7143
            19  O2b O    12.3244  -13.4248
            20  O2b O    22.0531  -20.4196
            21  P1b P    11.1121  -14.1184
            22  P1b P    23.2539  -19.7143
            23  O1c O     9.9007  -14.8178
            24  O1c O    10.4203  -12.9147
            25  O1c O    11.8144  -15.3404
            26  O1c O    24.4654  -19.0149
            27  O1c O    22.5627  -18.5267
            28  O1c O    23.9699  -20.9445
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   14  17 1
            23   16  18 1
            24   21  23 2
            25   21  24 1
            26   21  25 1
            27   22  26 2
            28   22  27 1
            29   22  28 1

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