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CHEBI:91609 - (13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

ChEBI IDCHEBI:91609
ChEBI Name(13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Stars
DownloadsMolfile
FormulaC21H26O2
Net Charge0
Average Mass310.437
Monoisotopic Mass310.19328
SMILESC=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C
InChIInChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18?,19?,20-,21-/m0/s1
InChIKeyVWAUPFMBXBWEQY-JSRAGOMMSA-N
Roles Classification
Biological Role:
estrogen  A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens.
ChEBI Ontology
Outgoing Relation(s)
(13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one (CHEBI:91609) has role estrogen (CHEBI:50114)
(13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one (CHEBI:91609) is a steroid (CHEBI:35341)
Manual XrefsDatabases
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