1.0 2012-01-13 17:26:07 UTC 2015-07-21 07:01:30 UTC FDB029850 5,7,8,3',4'-Pentahydroxyisoflavone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C15H10O7 302.2357 302.042652674 3-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one 3-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC(O)=C2C1=O InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-15-12(13(7)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H USQGZNXXBDCNQF-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Catechols Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Vinylogous acid logp 2.31 ALOGPS logs -3.19 ALOGPS solubility 1.94e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 6.78 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one ChemAxon average_mass 302.2357 ChemAxon mono_mass 302.042652674 ChemAxon smiles OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC(O)=C2C1=O ChemAxon formula C15H10O7 ChemAxon inchi InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)7-5-22-15-12(13(7)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H ChemAxon inchikey USQGZNXXBDCNQF-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 75.64 ChemAxon polarizability 28.41 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11806 Specdb::CMs 47472 Specdb::CMs 157493 Specdb::MsMs 292072 Specdb::MsMs 292073 Specdb::MsMs 292074 Specdb::MsMs 332170 Specdb::MsMs 332171 Specdb::MsMs 332172 Specdb::MsMs 2296634 Specdb::MsMs 2296635 Specdb::MsMs 2296636 Specdb::MsMs 2642073 Specdb::MsMs 2642074 Specdb::MsMs 2642075 HMDB41689 #<Reference:0x000055ce316b2bf0>