1.0 2010-04-08 22:04:40 UTC 2020-02-24 19:10:11 UTC FDB000670 6''-Malonylgenistin Present in soy foods. Potential nutriceutical. 6''-Malonylgenistin is found in many foods, some of which are soy bean, soy sauce, white lupine, and miso. 6''-Malonylgenistin Genistein 7-O-glucoside 6''-malonate Genistein 7-O-glucoside-6''-malonate C24H22O13 518.427 518.106040768 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 51011-05-3 OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28) FRAUJUKWSKMNJY-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 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 Secondary alcohol Vinylogous acid logp 1.34 ALOGPS logs -2.94 ALOGPS solubility 5.97e-01 g/l ALOGPS melting_point Mp 145° logp 1.14 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid ChemAxon average_mass 518.427 ChemAxon mono_mass 518.106040768 ChemAxon smiles OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O ChemAxon formula C24H22O13 ChemAxon inchi InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28) ChemAxon inchikey FRAUJUKWSKMNJY-UHFFFAOYSA-N ChemAxon polar_surface_area 209.51 ChemAxon refractivity 119.32 ChemAxon polarizability 49.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21581 Specdb::CMs 41434 Specdb::MsMs 90189 Specdb::MsMs 90190 Specdb::MsMs 90191 Specdb::MsMs 153288 Specdb::MsMs 153289 Specdb::MsMs 153290 Specdb::MsMs 2235780 Specdb::MsMs 2237618 Specdb::MsMs 2239648 Specdb::MsMs 2389585 Specdb::MsMs 2389586 Specdb::MsMs 2389587 Specdb::MsMs 2573573 Specdb::MsMs 2573574 Specdb::MsMs 2573575 HMDB29529 #<Reference:0x000055ce30a0e5e8> Miso Type 2 specific 8.106667 8.106666787 8.106666787 mg/100 g Other soy product Type 2 specific 7.473184 34.166666667 0.5 mg/100 g Soy bean Type 1 specific Glycine max 3847 22.388977 120.306666056 0.63499999 mg/100 g Soy milk Type 2 specific 9.205681 15.637499928 2.773861374 mg/100 g Soy sauce Type 2 specific 0.0 0.0 0.0 mg/100 g Soy yogurt Type 2 specific 15.275 15.274999619 15.274999619 mg/100 g Tofu Type 2 specific 4.662936 9.325871721 0.0 mg/100 g White lupine Type 1 specific Lupinus albus 3870 Yogurt Type 2 specific 15.275 15.274999619 15.274999619 mg/100 g Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.