1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:33 UTC FDB017259 Pratensein 3'-glucoside Constituent of the skins of peanuts, Arachis hypogaea. Pratensein 3'-glucoside is found in nuts. Pratensein 3'-glucoside Pratensein 3'-O-b-D-glucopyranoside C22H22O11 462.4035 462.116211546 5,7-dihydroxy-3-(4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one 5,7-dihydroxy-3-(4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one 2284-31-3 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C22H22O11/c1-30-13-3-2-9(11-8-31-15-6-10(24)5-12(25)17(15)18(11)26)4-14(13)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3 UCMPMVZIJFSAEQ-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 4'-O-methylisoflavones Acetals Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-o-methylisoflavone Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-3p-o-glycoside Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.64 ALOGPS logs -2.77 ALOGPS solubility 7.88e-01 g/l ALOGPS melting_point Mp 236-239° logp 0.65 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-3-(4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 462.4035 ChemAxon mono_mass 462.116211546 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C22H22O11 ChemAxon inchi InChI=1S/C22H22O11/c1-30-13-3-2-9(11-8-31-15-6-10(24)5-12(25)17(15)18(11)26)4-14(13)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3 ChemAxon inchikey UCMPMVZIJFSAEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 110.29 ChemAxon polarizability 45.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14817 Specdb::CMs 45654 Specdb::CMs 132231 Specdb::CMs 139965 Specdb::MsMs 75204 Specdb::MsMs 75205 Specdb::MsMs 75206 Specdb::MsMs 134796 Specdb::MsMs 134797 Specdb::MsMs 134798 Specdb::MsMs 2392975 Specdb::MsMs 2392976 Specdb::MsMs 2392977 Specdb::MsMs 2572211 Specdb::MsMs 2572212 Specdb::MsMs 2572213 HMDB38049 #<Reference:0x000055ce316d2dd8> Nuts Unknown generic