CHEBI:8716 - quinestrol

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ChEBI Name quinestrol ChEBI ID CHEBI:8716 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C25H32O2 Net Charge 0 Average Mass 364.52038 Monoisotopic Mass 364.24023 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. Application(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 DrugBank Estrovis DrugBank Estrovis 4000 DrugBank Estrovister DrugBank Plestrovis DrugBank Quilea DrugBank Manual Xrefs Databases 2342 DrugCentral C07619 KEGG COMPOUND D00576 KEGG DRUG DB04575 DrugBank HMDB0015579 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 22 February 2017