1.0 2010-04-08 22:12:49 UTC 2018-05-29 01:29:38 UTC FDB017075 3',7-Dihydroxy-4',8-dimethoxyisoflavone Isolated from Myroxylon balsamum (Tolu balsam) 3'-Hydroxy-8-O-methylretusin 3',7-Dihydroxy-4',8-dimethoxyisoflavone C17H14O6 314.2895 314.07903818 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one 3'-hydroxy-8-O-methylretusin 53947-99-2 COC1=C(O)C=C(C=C1)C1=COC2=C(C=CC(O)=C2OC)C1=O InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3 YYWSNCLFZSMGCM-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. 3'-hydroxy,4'-methoxyisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-O-methylisoflavones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxy,4'-methoxyisoflavonoid 4p-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Isoflavonoids logp 3.24 ALOGPS logs -3.91 ALOGPS solubility 3.90e-02 g/l ALOGPS melting_point Mp 212-213° logp 2.42 ChemAxon pka_strongest_acidic 7.04 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxy-4H-chromen-4-one ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=COC2=C(C=CC(O)=C2OC)C1=O ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3 ChemAxon inchikey YYWSNCLFZSMGCM-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 82.63 ChemAxon polarizability 31.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11684 Specdb::CMs 45589 Specdb::CMs 153567 Specdb::MsMs 80163 Specdb::MsMs 80164 Specdb::MsMs 80165 Specdb::MsMs 140952 Specdb::MsMs 140953 Specdb::MsMs 140954 Specdb::MsMs 2731782 Specdb::MsMs 2731783 Specdb::MsMs 2731784 Specdb::MsMs 2977667 Specdb::MsMs 2977668 Specdb::MsMs 2977669 HMDB37918 #<Reference:0x000055ce320eee70>