CHEBI:63949 - 2,3-bis(4-hydroxyphenyl)propionitrile

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ChEBI Name 2,3-bis(4-hydroxyphenyl)propionitrile ChEBI ID CHEBI:63949 Definition A nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor β (ERβ). 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 Formula C15H13NO2 Net Charge 0 Average Mass 239.26920 Monoisotopic Mass 239.09463 InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2 InChIKey GHZHWDWADLAOIQ-UHFFFAOYSA-N SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Roles Classification Biological Role(s): estrogen receptor agonist An agonist at the estrogen receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,3-bis(4-hydroxyphenyl)propionitrile (CHEBI:63949) has role estrogen receptor agonist (CHEBI:63951) 2,3-bis(4-hydroxyphenyl)propionitrile (CHEBI:63949) is a nitrile (CHEBI:18379) 2,3-bis(4-hydroxyphenyl)propionitrile (CHEBI:63949) is a phenols (CHEBI:33853) IUPAC Name 2,3-bis(4-hydroxyphenyl)propanenitrile Synonyms Sources 2,3-bis(4-hydroxyphenyl)-propionitrile ChEBI 2,3-bis(p-hydroxyphenyl)propionitrile ChemIDplus Manual Xref Database LSM-1423 LINCS View more database links Registry Numbers Types Sources 1428-67-7 CAS Registry Number ChemIDplus 3337109 Reaxys Registry Number Reaxys Citations Types Sources 21268084 PubMed citation Europe PMC 21397017 PubMed citation Europe PMC 21636213 PubMed citation Europe PMC 21712365 PubMed citation Europe PMC Last Modified 24 February 2016