1.0 2011-03-17 23:28:44 UTC 2025-11-19 02:39:25 UTC FDB021746 3,4',5,6,7,8-Hexahydroxyflavone 3,4',5,6,7,8-hexahydroxyflavone is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. 3,4',5,6,7,8-hexahydroxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,4',5,6,7,8-hexahydroxyflavone can be found in almond, which makes 3,4',5,6,7,8-hexahydroxyflavone a potential biomarker for the consumption of this food product. 3,4',5,6,7,8-Hexahydroxyflavone 3,5,6,7,8-Pentahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI 4',5,6,7,8-Pentahydroxyflavonol Calycopteretin C15H10O8 318.2351 318.037567296 3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)chromen-4-one 4431-48-5 OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C(O)=C2O InChI=1S/C15H10O8/c16-6-3-1-5(2-4-6)14-12(21)9(18)7-8(17)10(19)11(20)13(22)15(7)23-14/h1-4,16-17,19-22H WZIBNDUAQVRELQ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Flavonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids 8-hydroxyflavonoids Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid 8-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Vinylogous acid logp 1.72 ALOGPS logs -2.97 ALOGPS solubility 3.44e-01 g/l ALOGPS melting_point Mp 318-320? dec. logp 1.85 ChemAxon pka_strongest_acidic 6.16 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 318.2351 ChemAxon mono_mass 318.037567296 ChemAxon smiles OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C(O)=C2O ChemAxon formula C15H10O8 ChemAxon inchi InChI=1S/C15H10O8/c16-6-3-1-5(2-4-6)14-12(21)9(18)7-8(17)10(19)11(20)13(22)15(7)23-14/h1-4,16-17,19-22H ChemAxon inchikey WZIBNDUAQVRELQ-UHFFFAOYSA-N ChemAxon polar_surface_area 147.68 ChemAxon refractivity 78.84 ChemAxon polarizability 29.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 241243 Specdb::MsMs 241244 Specdb::MsMs 241245 Specdb::MsMs 243298 Specdb::MsMs 243299 Specdb::MsMs 243300 Specdb::MsMs 3606916 Specdb::MsMs 3606917 Specdb::MsMs 3606918 Specdb::MsMs 3606919 Specdb::MsMs 3606920 Specdb::MsMs 3606921 Almond Type 1 specific Prunus dulcis 3755 0.111925 0.111924997 0.111924997 mg/100 g