KEGG   DRUG: MestranolHelp
Entry
D00575                      Drug                                   

Name
Mestranol (JP17/USP/INN)
Formula
C21H26O2
Exact mass
310.1933
Mol weight
310.4299
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
Same as: C07618
Product (mixture): D04464<JP> D04462<JP/US>
Efficacy
Contraceptive, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00575  Mestranol (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00575  Mestranol
BRITE hierarchy
Other DBs
CAS: 72-33-3
PubChem: 7847641
ChEBI: 6784
ChEMBL: CHEMBL1201151
DrugBank: DB01357
LigandBox: D00575
NIKKAJI: J1.426E
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    28.4200  -18.3400
            2   C8y C    28.4200  -19.7400
            3   C8x C    29.6100  -20.4400
            4   C8y C    30.8700  -19.7400
            5   C8y C    30.8700  -18.3400
            6   C8x C    29.6100  -17.6400
            7   C1x C    32.0600  -20.4400
            8   C1x C    33.2500  -19.7400
            9   C1y C    33.2500  -18.3400
            10  C1y C    32.0600  -17.6400
            11  C1y C    34.5100  -17.6400
            12  C1z C    34.5100  -16.2400
            13  C1x C    33.2500  -15.5400
            14  C1x C    32.0600  -16.2400
            15  C1x C    36.8900  -17.6400
            16  C1x C    36.8900  -16.2400
            17  C1z C    35.7000  -15.5400
            18  O2a O    27.2300  -20.4400
            19  C1a C    26.0400  -19.7400
            20  C1a C    34.5100  -14.8400
            21  O1a O    35.7000  -13.8600
            22  C3b C    36.8900  -14.8400
            23  C3a C    38.1500  -14.1400
BOND        26
            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   12  20 1 #Up
            24   17  21 1 #Up
            25   17  22 1 #Down
            26   22  23 3

» Japanese version   » Back

DBGET integrated database retrieval system