1.0 2012-01-13 17:26:07 UTC 2015-07-21 07:01:30 UTC FDB029849 5,6,7,4'-Tetrahydroxyisoflavone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C15H10O6 286.2363 286.047738052 5,6,7-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one 6-hydroxygenistein OC1=CC=C(C=C1)C1=COC2=CC(O)=C(O)C(O)=C2C1=O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H HDXSEWOOSVMREY-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 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 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 Isoflavonoids logp 2.71 ALOGPS logs -3.24 ALOGPS solubility 1.64e-01 g/l ALOGPS logp 2.77 ChemAxon pka_strongest_acidic 6.78 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 5,6,7-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 286.2363 ChemAxon mono_mass 286.047738052 ChemAxon smiles OC1=CC=C(C=C1)C1=COC2=CC(O)=C(O)C(O)=C2C1=O ChemAxon formula C15H10O6 ChemAxon inchi InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H ChemAxon inchikey HDXSEWOOSVMREY-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 73.66 ChemAxon polarizability 27.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15420 Specdb::CMs 47471 Specdb::CMs 170451 Specdb::MsMs 300154 Specdb::MsMs 300155 Specdb::MsMs 300156 Specdb::MsMs 342355 Specdb::MsMs 342356 Specdb::MsMs 342357 Specdb::MsMs 2788690 Specdb::MsMs 2788691 Specdb::MsMs 2788692 Specdb::MsMs 2920534 Specdb::MsMs 2920535 Specdb::MsMs 2920536 HMDB41688 #<Reference:0x000055ce31e2d290>