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
NSC-759637ChEMBL
QuinestrolKEGG COMPOUND
W 3566ChEMBL
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:152-43-2KEGG COMPOUND
CAS:152-43-2ChemIDplus
Citations