KEGG   DRUG: DienestrolHelp
Entry
D00898                      Drug                                   

Name
Dienestrol (USP/INN);
DV (TN)
Formula
C18H18O2
Exact mass
266.1307
Mol weight
266.3343
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
Remark
Same as: C08090
ATC code: G03CB01 G03CC02
Efficacy
Replenisher (estrogen), Estrogen receptor agonist
Comment
Treatment of menopausal symptom
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
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
     G03CB01 Dienestrol
      D00898  Dienestrol (USP/INN)
    G03CC Estrogens, combinations with other drugs
     G03CC02 Dienestrol
      D00898  Dienestrol (USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00898  Dienestrol (USP/INN)
BRITE hierarchy
Other DBs
CAS: 84-17-3
PubChem: 7847962
ChEBI: 4518
ChEMBL: CHEMBL1018
DrugBank: DB00890
LigandBox: D00898
NIKKAJI: J150.533E
LinkDB All DBs
KCF data Show

ATOM        20
            1   C2c C    21.7643  -16.3168
            2   C2c C    21.7757  -17.7091
            3   C8y C    20.5467  -15.6234
            4   C2b C    22.9759  -15.6118
            5   C8y C    22.9876  -18.4082
            6   C2b C    20.5700  -18.4082
            7   C8x C    19.3348  -16.3168
            8   C8x C    20.5467  -14.2195
            9   C1a C    22.9700  -14.2136
            10  C8x C    22.9876  -19.8064
            11  C8x C    24.1993  -17.7032
            12  C1a C    20.5757  -19.8005
            13  C8x C    18.1231  -15.6234
            14  C8x C    19.3348  -13.5145
            15  C8x C    24.2052  -20.5055
            16  C8x C    25.4169  -18.4023
            17  C8y C    18.1231  -14.2195
            18  C8y C    25.4169  -19.8005
            19  O1a O    16.9055  -13.5145
            20  O1a O    26.6288  -20.5055
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            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   14  17 1
            21   16  18 1

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