1.0 2012-01-13 17:25:56 UTC 2018-04-16 08:18:42 UTC FDB029811 3'-Hydroxydaidzein A polyphenol metabolite detected in biological fluids [PhenolExplorer] 3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one 3',4',7-Trihydroxyisoflavone C15H10O5 270.2369 270.05282343 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one 3',4',7-trihydroxyisoflavone 485-63-2 OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1 InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H DDKGKOOLFLYZDL-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 Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 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 Pyran Pyranone 7-hydroxyisoflavones Isoflavonoids isoflavones logp 3.05 ALOGPS logs -3.41 ALOGPS solubility 1.06e-01 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_acidic 6.48 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one ChemAxon average_mass 270.2369 ChemAxon mono_mass 270.05282343 ChemAxon smiles OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1 ChemAxon formula C15H10O5 ChemAxon inchi InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H ChemAxon inchikey DDKGKOOLFLYZDL-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 71.68 ChemAxon polarizability 26.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12129 Specdb::CMs 47439 Specdb::CMs 168553 Specdb::MsMs 292705 Specdb::MsMs 292706 Specdb::MsMs 292707 Specdb::MsMs 332977 Specdb::MsMs 332978 Specdb::MsMs 332979 Specdb::MsMs 373879 Specdb::MsMs 373880 Specdb::MsMs 373881 Specdb::MsMs 373882 Specdb::MsMs 373883 Specdb::MsMs 440383 Specdb::MsMs 440384 Specdb::MsMs 440385 Specdb::MsMs 440386 Specdb::MsMs 1479232 Specdb::MsMs 1479330 Specdb::MsMs 2246937 Specdb::MsMs 2247369 Specdb::MsMs 2249040 Specdb::MsMs 2249335 Specdb::MsMs 2251045 Specdb::MsMs 2251380 Specdb::MsMs 2393545 Specdb::MsMs 2393546 HMDB41655 47X #<Reference:0x000055ce33604c60>