1.0 2012-01-13 17:26:12 UTC 2015-07-21 07:01:35 UTC FDB029867 7,8,3',4'-Tetrahydroxyisoflavone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C15H10O6 286.2363 286.047738052 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one 3-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC=C2C1=O InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H VMOBWBRUROXCOO-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 logp 2.67 ALOGPS logs -3.28 ALOGPS solubility 1.49e-01 g/l ALOGPS logp 2.12 ChemAxon pka_strongest_acidic 6.7 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one ChemAxon average_mass 286.2363 ChemAxon mono_mass 286.047738052 ChemAxon smiles OC1=CC=C(C=C1O)C1=COC2=C(O)C(O)=CC=C2C1=O ChemAxon formula C15H10O6 ChemAxon inchi InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H ChemAxon inchikey VMOBWBRUROXCOO-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 73.66 ChemAxon polarizability 27.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12684 Specdb::CMs 47485 Specdb::CMs 169454 Specdb::MsMs 293863 Specdb::MsMs 293864 Specdb::MsMs 293865 Specdb::MsMs 334450 Specdb::MsMs 334451 Specdb::MsMs 334452 Specdb::MsMs 2468413 Specdb::MsMs 2468414 Specdb::MsMs 2468415 Specdb::MsMs 2498015 Specdb::MsMs 2498016 Specdb::MsMs 2498017 HMDB41702 #<Reference:0x000055ce31e6ec68>