1.0 2010-04-08 22:13:34 UTC 2019-11-26 03:15:50 UTC FDB018194 5,7,8-Trihydroxyflavanone 7-glucoside Isolated from Prunus avium (wild cherry). 5,7,8-Trihydroxyflavanone 7-glucoside is found in fruits. 5,7,8-Trihydroxyflavanone 7-glucoside C21H22O10 434.3934 434.121296924 5,8-dihydroxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one 5,8-dihydroxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one OCC1OC(OC2=C(O)C3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O InChI=1S/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2 BDRAFLNAVDEXHK-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position. 8-prenylated isoflavanones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Organic oxides Oxacyclic compounds Primary alcohols Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-prenylated isoflavanone Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavanol Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Primary alcohol Resorcinol Isoflavonoids logp 0.10 ALOGPS logs -2.21 ALOGPS solubility 2.66e+00 g/l ALOGPS logp 0.57 ChemAxon pka_strongest_acidic 9.17 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,8-dihydroxy-2-phenyl-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=C(O)C3=C(C(=O)CC(O3)C3=CC=CC=C3)C(O)=C2)C(O)C(O)C1O ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2 ChemAxon inchikey BDRAFLNAVDEXHK-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 103.43 ChemAxon polarizability 42.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15621 Specdb::CMs 46045 Specdb::CMs 132299 Specdb::CMs 140033 Specdb::CMs 154832 Specdb::CMs 154834 Specdb::CMs 280011 Specdb::MsMs 44679 Specdb::MsMs 44680 Specdb::MsMs 44681 Specdb::MsMs 158232 Specdb::MsMs 158233 Specdb::MsMs 158234 Specdb::MsMs 2690063 Specdb::MsMs 2690064 Specdb::MsMs 2690065 Specdb::MsMs 2989475 Specdb::MsMs 2989476 Specdb::MsMs 2989477 HMDB38775 #<Reference:0x000055ce325414c8> Fruits Unknown generic