EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:8716 - quinestrol

Default Structure
ChEBI IDCHEBI:8716
ChEBI Namequinestrol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H32O2
Net Charge0
Average Mass364.529
Monoisotopic Mass364.24023
SMILES[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])c3ccc(OC4CCCC4)cc3CC[C@@]21[H]
InChIInChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1
InChIKeyPWZUUYSISTUNDW-VAFBSOEGSA-N
Wikipedia
Roles Classification
Biological Role:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
Application:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
quinestrol (CHEBI:8716) has functional parent 17β-estradiol (CHEBI:16469)
quinestrol (CHEBI:8716) has role xenoestrogen (CHEBI:76988)
quinestrol (CHEBI:8716) is a 17-hydroxy steroid (CHEBI:36838)
quinestrol (CHEBI:8716) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
3-(cyclopentyloxy)-17β-ethynylestra-1,3,5(10)-trien-17-ol
INNs  Source
quinestrolChemIDplus
quinestrolumChemIDplus
Synonyms  Source
17-alpha-Ethinylestradiol 3-cyclopentyl etherDrugBank
17alpha-Ethynylestradiol 3-cyclopentyl etherDrugBank
Estradiol-17-beta 3-cyclopentyl etherDrugBank
QuinestrolKEGG COMPOUND
Brand Names  Source
EstonDrugBank
EstrovisDrugBank
Estrovis 4000DrugBank
EstrovisterDrugBank
PlestrovisDrugBank
QuileaDrugBank
Manual XrefsDatabases
2342DrugCentral
C07619KEGG COMPOUND
D00576KEGG DRUG
DB04575DrugBank
HMDB0015579HMDB
LMST02010037LIPID MAPS
QuinestrolWikipedia
US3159543Patent
US3231567Patent
Registry NumbersSources
Beilstein:3038592Beilstein
CAS:152-43-2ChemIDplus
CAS:152-43-2KEGG COMPOUND