1.0 2010-04-08 22:12:49 UTC 2019-11-26 03:14:10 UTC FDB017074 2',5-Dihydroxy-4',7-dimethoxyisoflavone Isolated from Cajanus cajan (pigeon pea) (fungus-infected stems). 2',5-Dihydroxy-4',7-dimethoxyisoflavone is found in pulses. 2',5-Dihydroxy-4',7-dimethoxyisoflavone C17H14O6 314.2895 314.07903818 5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one 5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one 61020-69-7 COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(OC)=C2)C1=O InChI=1S/C17H14O6/c1-21-9-3-4-11(13(18)5-9)12-8-23-15-7-10(22-2)6-14(19)16(15)17(12)20/h3-8,18-19H,1-2H3 FFQUCBRHHMKGND-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. 7-O-methylisoflavones 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 Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-o-methylisoflavone 7-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 Vinylogous acid logp 3.20 ALOGPS logs -3.86 ALOGPS solubility 4.32e-02 g/l ALOGPS logp 3.07 ChemAxon pka_strongest_acidic 8.25 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(OC)=C2)C1=O ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-21-9-3-4-11(13(18)5-9)12-8-23-15-7-10(22-2)6-14(19)16(15)17(12)20/h3-8,18-19H,1-2H3 ChemAxon inchikey FFQUCBRHHMKGND-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 82.63 ChemAxon polarizability 31.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25521 Specdb::CMs 45588 Specdb::CMs 159636 Specdb::MsMs 79320 Specdb::MsMs 79321 Specdb::MsMs 79322 Specdb::MsMs 139881 Specdb::MsMs 139882 Specdb::MsMs 139883 Specdb::MsMs 2820432 Specdb::MsMs 2820433 Specdb::MsMs 2820434 Specdb::MsMs 2858153 Specdb::MsMs 2858154 Specdb::MsMs 2858155 HMDB37917 #<Reference:0x000055ce330f6458> Pulses Unknown generic