A database of hormones and their receptors
Non-peptide Hormone

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HMRbase accession number1087
PubChem ID6291
Hormone nameMestranol
DescriptionThe 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL CONTRACEPTIVES.
SynonymsMestranol Inostral Devocin Norquen Ovastol Menophase Norinyl Norinyl Enovid Ovulen Ortho-novum Norinyl
Molecular weight310.43
Molecular formulaC21H26O2
IUPAC Name(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Canonical smilesCC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
Isomeric smilesC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
Structure
   
PDB file
SDF file
MOL file
PDB IDN/A
KEGG IDC07618  D00575  
HMDB IDN/A
Melting Point150.5(EXP)
Log P4.68(EST)
Water SolubilityN/A
DrugBank IDDB01357
Drugpediawiki
ReceptorP03372   Detail in HMRbase   
Comments
ReferencesPubchem