1.0 2012-01-13 17:25:52 UTC 2015-07-21 07:01:13 UTC FDB029799 2',7-Dihydroxy-4',5'-dimethoxyisoflavone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C17H14O6 314.2895 314.07903818 7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one 7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one COC1=CC(O)=C(C=C1OC)C1=COC2=C(C=CC(O)=C2)C1=O InChI=1S/C17H14O6/c1-21-15-6-11(13(19)7-16(15)22-2)12-8-23-14-5-9(18)3-4-10(14)17(12)20/h3-8,18-19H,1-2H3 UYOJEKMKWXYOEQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone. 4'-O-methylisoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylisoflavones 4-alkoxyphenols Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyisoflavone 4-alkoxyphenol 4p-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone an isoflavone logp 3.23 ALOGPS logs -3.84 ALOGPS solubility 4.56e-02 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 6.47 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 7-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles COC1=CC(O)=C(C=C1OC)C1=COC2=C(C=CC(O)=C2)C1=O ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-21-15-6-11(13(19)7-16(15)22-2)12-8-23-14-5-9(18)3-4-10(14)17(12)20/h3-8,18-19H,1-2H3 ChemAxon inchikey UYOJEKMKWXYOEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 82.63 ChemAxon polarizability 31.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11313 Specdb::CMs 47428 Specdb::CMs 137044 Specdb::CMs 144778 Specdb::MsMs 290986 Specdb::MsMs 290987 Specdb::MsMs 290988 Specdb::MsMs 330790 Specdb::MsMs 330791 Specdb::MsMs 330792 Specdb::MsMs 2448587 Specdb::MsMs 2448588 Specdb::MsMs 2448589 Specdb::MsMs 2486349 Specdb::MsMs 2486350 Specdb::MsMs 2486351 HMDB41644 #<Reference:0x000055ce32f7e620>