1.0 2010-04-08 22:12:42 UTC 2019-11-26 03:13:54 UTC FDB016888 4',7-Dihydroxy-2',5-dimethoxyisoflavanone Isolated from Phaseolus coccineus (scarlet runner bean). 4',7-Dihydroxy-2',5-dimethoxyisoflavanone is found in pulses and scarlet bean. 4',7-Dihydroxy-2',5-dimethoxyisoflavanone 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone C17H16O6 316.3053 316.094688244 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1-benzopyran-4-one 99965-02-3 COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(OC)=C2C1=O InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3 VXWBAOPTFLXYTN-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C5 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 5-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2'-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton 5-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Isoflavonoids logp 2.78 ALOGPS logs -3.63 ALOGPS solubility 7.41e-02 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_acidic 7.83 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 316.3053 ChemAxon mono_mass 316.094688244 ChemAxon smiles COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(OC)=C2C1=O ChemAxon formula C17H16O6 ChemAxon inchi InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3 ChemAxon inchikey VXWBAOPTFLXYTN-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 82.62 ChemAxon polarizability 31.41 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19549 Specdb::CMs 45527 Specdb::CMs 155380 Specdb::MsMs 59778 Specdb::MsMs 59779 Specdb::MsMs 59780 Specdb::MsMs 115986 Specdb::MsMs 115987 Specdb::MsMs 115988 Specdb::MsMs 2831449 Specdb::MsMs 2831450 Specdb::MsMs 2831451 Specdb::MsMs 2847677 Specdb::MsMs 2847678 Specdb::MsMs 2847679 HMDB37749 #<Reference:0x000055ce32350588> Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886