1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:40 UTC FDB018785 2'-Hydroxygenistein 7-(6''-malonylglucoside) Isolated from the roots of Lupinius albus (white lupin). 2'-Hydroxygenistein 7-(6''-malonylglucoside) is found in pulses and white lupine. 2'-Hydroxygenistein 7-(6''-malonylglucoside) 2'-Hydroxygenistein 7-O-(6''-malonylglucoside) 5,7,2',4'-Tetrahydroxyisoflavone 7-O-(6''-malonylglucoside) C24H22O14 534.4231 534.100955412 3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid 3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid 137351-13-4 OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29) QFCNXJBZARIFSY-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzene and substituted derivatives Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Resorcinols Secondary alcohols Vinylogous acids 1,3-dicarbonyl compound 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Resorcinol Secondary alcohol Vinylogous acid logp 1.26 ALOGPS logs -2.88 ALOGPS solubility 6.98e-01 g/l ALOGPS logp 0.84 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid ChemAxon average_mass 534.4231 ChemAxon mono_mass 534.100955412 ChemAxon smiles OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O ChemAxon formula C24H22O14 ChemAxon inchi InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29) ChemAxon inchikey QFCNXJBZARIFSY-UHFFFAOYSA-N ChemAxon polar_surface_area 229.74 ChemAxon refractivity 121.3 ChemAxon polarizability 49.5 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12983 Specdb::CMs 46333 Specdb::CMs 243959 Specdb::CMs 243961 Specdb::CMs 243963 Specdb::CMs 243965 Specdb::CMs 243966 Specdb::CMs 243968 Specdb::CMs 243971 Specdb::CMs 243973 Specdb::CMs 243974 Specdb::CMs 243976 Specdb::CMs 243978 Specdb::CMs 243980 Specdb::CMs 243982 Specdb::CMs 243984 Specdb::CMs 243986 Specdb::CMs 243988 Specdb::CMs 243990 Specdb::CMs 243992 Specdb::CMs 243994 Specdb::CMs 243996 Specdb::CMs 243998 Specdb::CMs 244000 Specdb::CMs 244002 Specdb::MsMs 109299 Specdb::MsMs 109300 Specdb::MsMs 109301 Specdb::MsMs 176712 Specdb::MsMs 176713 Specdb::MsMs 176714 Specdb::MsMs 2793113 Specdb::MsMs 2793114 Specdb::MsMs 2793115 Specdb::MsMs 2916692 Specdb::MsMs 2916693 Specdb::MsMs 2916694 HMDB39247 #<Reference:0x000055ce32479248> Pulses Unknown generic White lupine Type 1 specific Lupinus albus 3870