CHEBI:64110 - 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol

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ChEBI Name 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol ChEBI ID CHEBI:64110 Definition A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERα over ERβ. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. 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 C24H22N2O3 Net Charge 0 Average Mass 386.44310 Monoisotopic Mass 386.16304 InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3 InChIKey IOTXSIGGFRQYKW-UHFFFAOYSA-N SMILES CCCc1c(nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1)-c1ccc(O)cc1 Roles Classification Biological Role(s): estrogen receptor agonist An agonist at the estrogen receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol (CHEBI:64110) has role estrogen receptor agonist (CHEBI:63951) 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol (CHEBI:64110) is a phenols (CHEBI:33853) 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol (CHEBI:64110) is a pyrazoles (CHEBI:26410) IUPAC Name 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol Synonym Source 1,3,5-tris(4-hydroxyphenyl)-4-propylpyrazole ChEBI Registry Number Type Source 8798122 Reaxys Registry Number Reaxys Last Modified 07 March 2012