1.0 2012-01-13 17:25:54 UTC 2015-07-21 07:01:15 UTC FDB029806 3',4',5,7-Tetrahydroxyisoflavanone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C15H12O6 288.2522 288.063388116 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one OC1=CC(O)=C2C(=O)C(COC2=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C15H12O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-5,9,16-19H,6H2 DYLLIDCIKLUGBZ-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Isoflavanones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavanol Isoflavanone Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Vinylogous acid logp 2.10 ALOGPS logs -2.93 ALOGPS solubility 3.35e-01 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 7.89 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 288.2522 ChemAxon mono_mass 288.063388116 ChemAxon smiles OC1=CC(O)=C2C(=O)C(COC2=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C15H12O6 ChemAxon inchi InChI=1S/C15H12O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-5,9,16-19H,6H2 ChemAxon inchikey DYLLIDCIKLUGBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 73.66 ChemAxon polarizability 27.44 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24606 Specdb::CMs 47435 Specdb::CMs 167275 Specdb::MsMs 12452 Specdb::MsMs 12453 Specdb::MsMs 12454 Specdb::MsMs 19124 Specdb::MsMs 19125 Specdb::MsMs 19126 Specdb::MsMs 2814955 Specdb::MsMs 2814956 Specdb::MsMs 2814957 Specdb::MsMs 2891304 Specdb::MsMs 2891305 Specdb::MsMs 2891306 HMDB41651 #<Reference:0x000055ce30caf270>