CHEBI:135323 - gestodene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gestodene
ChEBI ID CHEBI:135323
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26O2
Net Charge 0
Average Mass 310.431
Monoisotopic Mass 310.19328
InChI InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey SIGSPDASOTUPFS-XUDSTZEESA-N
SMILES C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(C=C[C@]2(C#C)O)[H]
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.
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ChEBI Ontology
Outgoing gestodene (CHEBI:135323) has role estrogen (CHEBI:50114)
gestodene (CHEBI:135323) is a steroid (CHEBI:35341)
Synonym Source
gestinol DrugCentral
Manual Xrefs Databases
1291 DrugCentral
HMDB0015668 HMDB
View more database links
Registry Number Type Source
60282-87-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017