CHEBI:94581 - (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

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ChEBI Name (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
ChEBI ID CHEBI:94581
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H24O3
Net Charge 0
Average Mass 288.382
Monoisotopic Mass 288.17254
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16-,17+,18+/m1/s1
InChIKey PROQIPRRNZUXQM-WJQMWINMSA-N
SMILES C[C@]12CC[C@H]3[C@H]([C@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
Roles Classification
Biological Role(s): 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.
(via (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol )
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ChEBI Ontology
Outgoing (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol (CHEBI:94581) has role estrogen (CHEBI:50114)
(8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol (CHEBI:94581) is a steroid (CHEBI:35341)
Manual Xref Database
LSM-5468 LINCS
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