1.0 2011-03-17 23:25:08 UTC 2025-11-19 02:38:45 UTC FDB021631 Apigenin 7-glucuronide Apigenin 7-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-glucuronide can be found in common sage and dill, which makes apigenin 7-glucuronide a potential biomarker for the consumption of these food products. 4',5,7-Trihydroxyflavone; 7-O-b-D-Glucuronopyranoside Apigenin 7-glucuronide C21H18O11 446.361 446.084911418 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid 29741-09-1 OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29) JBFOLLJCGUCDQP-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Diterpenoid Hydrocarbon derivative Labdane diterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 1.03 ALOGPS logs -2.52 ALOGPS solubility 1.35e+00 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_acidic 2.74 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 446.361 ChemAxon mono_mass 446.084911418 ChemAxon smiles OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O ChemAxon formula C21H18O11 ChemAxon inchi InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29) ChemAxon inchikey JBFOLLJCGUCDQP-UHFFFAOYSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 104.93 ChemAxon polarizability 42.3 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1284445 Specdb::MsMs 1284446 Specdb::MsMs 1284447 Specdb::MsMs 1399264 Specdb::MsMs 1399265 Specdb::MsMs 1399266 Specdb::MsMs 3061652 Specdb::MsMs 3061653 Specdb::MsMs 3061654 Specdb::MsMs 3109377 Specdb::MsMs 3109378 Specdb::MsMs 3109379 Specdb::CMs 54462 Specdb::CMs 63560 Specdb::CMs 132916 Specdb::CMs 140650 Common sage Type 1 specific Salvia officinalis 38868 Dill Type 1 specific Anethum graveolens 40922 Anti neoplastic 465 A substance that inhibits or prevents the proliferation of neoplasms.