1.0 2010-04-08 22:04:40 UTC 2020-02-24 19:10:11 UTC FDB000669 6''-O-Acetylgenistin Isolated from seeds of soybean (Glycine max). Therefore, it is present in soy foods suc as miso, soy yogurt, soy milk, and soy bean. 6''-O-Acetylgenistin is a potential nutriceutical (having medicinal benefit). 6-o-acetylgenistin 6'-O-Acetylgenistin 6''-O-Acetylgenistin 6"-O-Acetylgenistin Genistin 6''-O-acetate C23H22O11 474.418 474.116211528 (3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate (3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate 73566-30-0 CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3 DXWGBJJLEDQBKS-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Monocarboxylic acid or derivatives 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 1.25 ALOGPS logs -3.00 ALOGPS solubility 4.79e-01 g/l ALOGPS melting_point Mp 185-186° logp 1.25 ChemAxon pka_strongest_acidic 7.27 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate ChemAxon average_mass 474.418 ChemAxon mono_mass 474.116211528 ChemAxon smiles CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O ChemAxon formula C23H22O11 ChemAxon inchi InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3 ChemAxon inchikey DXWGBJJLEDQBKS-UHFFFAOYSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 112.98 ChemAxon polarizability 46.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11109 Specdb::CMs 41433 Specdb::CMs 164814 Specdb::MsMs 107631 Specdb::MsMs 107632 Specdb::MsMs 107633 Specdb::MsMs 174648 Specdb::MsMs 174649 Specdb::MsMs 174650 Specdb::MsMs 3039292 Specdb::MsMs 3039293 Specdb::MsMs 3039294 Specdb::MsMs 3100468 Specdb::MsMs 3100469 Specdb::MsMs 3100470 HMDB29528 #<Reference:0x000055ce31d0c398> Miso Type 2 specific 1.740667 1.740666723 1.740666723 mg/100 g Other soy product Type 2 specific 2.831302 12.399999619 0.300000012 mg/100 g Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 11.373702 49.330001354 0.188461542 mg/100 g Soy milk Type 2 specific 1.752313 2.430625051 1.073999999 mg/100 g Soy sauce Type 2 specific 0.0 0.0 0.0 mg/100 g Soy yogurt Type 2 specific 6.55 6.549999803 6.549999803 mg/100 g Tofu Type 2 specific 0.326789 0.653577979 0.0 mg/100 g Yogurt Type 2 specific 6.55 6.549999803 6.549999803 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.