CHEBI:59642 - bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether

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ChEBI Name bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether ChEBI ID CHEBI:59642 Definition The (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) diether of bisphenol A; a small molecule that inhibits transactivation of the AR amino-terminal domain (NTD). Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H27ClO5 Net Charge 0 Average Mass 394.88900 Monoisotopic Mass 394.15470 InChI InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3 InChIKey HDTYUHNZRYZEEB-UHFFFAOYSA-N SMILES CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1 Roles Classification Biological Role(s): androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. Application(s): androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. View more via ChEBI Ontology ChEBI Ontology Outgoing bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent bisphenol A (CHEBI:33216) bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent glycerol (CHEBI:17754) bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has role androgen antagonist (CHEBI:35497) bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) is a diether (CHEBI:46786) bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) is a organochlorine compound (CHEBI:36683) IUPAC Name 3-(4-{2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol Synonym Source EPI-001 ChEBI Registry Number Type Source 11927168 Beilstein Registry Number Beilstein Citation Type Source 20541699 PubMed citation SUBMITTER Last Modified 23 June 2010