User Survey : Help improve ChEBI - please click here to take part in our quick User Survey.

CHEBI:8716 - quinestrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quinestrol
ChEBI ID CHEBI:8716
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C25H32O2
Net Charge 0
Average Mass 364.52038
Monoisotopic Mass 364.240
InChI InChI=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
InChIKey PWZUUYSISTUNDW-VAFBSOEGSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC3CCCC3)ccc21
Roles Classification
Biological Role(s): xenoestrogen
A synthetic or semi-synthetic compound that has oestrogenic activity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
quinestrol ChemIDplus
quinestrolum ChemIDplus
Synonyms Sources
17-alpha-Ethinylestradiol 3-cyclopentyl ether DrugBank
17alpha-Ethynylestradiol 3-cyclopentyl ether DrugBank
Estradiol-17-beta 3-cyclopentyl ether DrugBank
Quinestrol KEGG COMPOUND
Brand Names Sources
Eston Deprecated term DrugBank
Estrovis Deprecated term DrugBank
Estrovis 4000 Deprecated term DrugBank
Estrovister Deprecated term DrugBank
Plestrovis Deprecated term DrugBank
Quilea DrugBank
Database Links Databases
C07619 KEGG COMPOUND
D00576 KEGG DRUG
DB04575 DrugBank
HMDB15579 HMDB
LMST02010037 LIPID MAPS
Quinestrol Wikipedia
US3159543 Patent
US3231567 Patent
View more database links
Registry Numbers Types Sources
152-43-2 CAS Registry Number KEGG COMPOUND
152-43-2 CAS Registry Number ChemIDplus
3038592 Beilstein Registry Number Beilstein
Last Modified
15 January 2014