1.0 2010-04-08 22:05:27 UTC 2020-02-24 19:10:34 UTC FDB002609 6''-Acetyldaidzin Isolated from soybean seeds (Glycine max); potential nutriceutical. 6''-Acetyldaidzin is found in many foods, some of which are soy yogurt, miso, soy milk, and soy bean. 6-O-Acetyldaidzin 6''-Acetyldaidzein 7-glucoside 6''-Acetyldaidzin 6''-O-Acetyldaidzein 7-O-glucoside 6''-O-Acetyldaidzin 6"-O-acetyldaidzin Daidzein 6''-O-acetate C23H22O10 458.419 458.121296908 (3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate (3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate 71385-83-6 CC(=O)OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3 ZMOZJTDOTOZVRT-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 Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Heteroaromatic compounds Hydrocarbon derivatives Isoflavones Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Glycosyl compound Heteroaromatic compound Hydrocarbon derivative 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 logp 1.43 ALOGPS logs -3.12 ALOGPS solubility 3.50e-01 g/l ALOGPS melting_point Mp 186-189° logp 0.9 ChemAxon pka_strongest_acidic 8.96 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate ChemAxon average_mass 458.419 ChemAxon mono_mass 458.121296908 ChemAxon smiles CC(=O)OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C23H22O10 ChemAxon inchi InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3 ChemAxon inchikey ZMOZJTDOTOZVRT-UHFFFAOYSA-N ChemAxon polar_surface_area 151.98 ChemAxon refractivity 111 ChemAxon polarizability 45.38 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14047 Specdb::CMs 42089 Specdb::CMs 155697 Specdb::MsMs 12860 Specdb::MsMs 12861 Specdb::MsMs 12862 Specdb::MsMs 19532 Specdb::MsMs 19533 Specdb::MsMs 19534 Specdb::MsMs 2249440 Specdb::MsMs 2675482 Specdb::MsMs 2675483 Specdb::MsMs 2675484 Specdb::MsMs 3033677 Specdb::MsMs 3033678 Specdb::MsMs 3033679 HMDB30689 #<Reference:0x00007f093c1be210> Miso Type 2 specific 0.866667 0.866666631 0.866666631 mg/100 g Other soy product Type 2 specific 4.298792 34.13999939 0.0 mg/100 g Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 9.958177 38.260001342 0.0 mg/100 g Soy milk Type 2 specific 0.815721 1.463124957 0.168316831 mg/100 g Soy sauce Type 2 specific 0.0 0.0 0.0 mg/100 g Soy yogurt Type 2 specific 4.69 4.690000057 4.690000057 mg/100 g Tofu Type 2 specific 0.126239 0.252477068 0.0 mg/100 g Yogurt Type 2 specific 4.69 4.690000057 4.690000057 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.