1.0 2010-04-08 22:14:27 UTC 2025-11-19 02:21:15 UTC FDB019597 Dihydrogenistin Constituent of Glycine max (soybeans). Dihydrogenistin is found in soy bean and pulses. 5,7,4'-Trihydroxyisoflavanone 7-O-glucoside Dihydrogenistin C21H22O10 434.3934 434.121296924 5-hydroxy-3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one 5-hydroxy-3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one 441045-21-2 OCC1OC(OC2=CC(O)=C3C(=O)C(COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2 HZFUHKPAKUYSOB-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 Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.17 ALOGPS logs -2.44 ALOGPS solubility 1.59e+00 g/l ALOGPS logp 0.46 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 434.3934 ChemAxon mono_mass 434.121296924 ChemAxon smiles OCC1OC(OC2=CC(O)=C3C(=O)C(COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2 ChemAxon inchikey HZFUHKPAKUYSOB-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 103.82 ChemAxon polarizability 41.92 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16480 Specdb::CMs 46648 Specdb::CMs 167872 Specdb::MsMs 8153 Specdb::MsMs 8154 Specdb::MsMs 8155 Specdb::MsMs 14825 Specdb::MsMs 14826 Specdb::MsMs 14827 Specdb::MsMs 2467202 Specdb::MsMs 2467203 Specdb::MsMs 2467204 Specdb::MsMs 2498432 Specdb::MsMs 2498433 Specdb::MsMs 2498434 HMDB39935 #<Reference:0x000055ce315b9fa0> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847