1.0 2011-03-17 23:26:31 UTC 2025-11-19 02:39:03 UTC FDB021682 Patuletin 7-glucoside Patuletin 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Patuletin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Patuletin 7-glucoside can be found in german camomile, which makes patuletin 7-glucoside a potential biomarker for the consumption of this food product. 3,3',4',5,7-Pentahydroxy-6-methoxyflavone 7-O-b-D-glucopyranoside 3,3',4',5,7-Pentahydroxy-6-methoxyflavone 7-O-b-D-glucoside Patuletin 7-glucoside Patuletin 7-O-b-D-glucoside Patulitrin C22H22O13 494.4023 494.10604079 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 19833-25-1 COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)C=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3 AFCDXKGLUDDXCK-UHFFFAOYSA-N belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Kaurane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Alkaloids and derivatives Atisane diterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Alkaloid or derivatives Atisane diterpenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Villanovane, atisane, trachylobane or helvifulvane diterpenoid logp 0.59 ALOGPS logs -2.43 ALOGPS solubility 1.85e+00 g/l ALOGPS melting_point Mp 261-263? (253-254?) logp -0.27 ChemAxon pka_strongest_acidic 8.14 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 494.4023 ChemAxon mono_mass 494.10604079 ChemAxon smiles COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)C=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C22H22O13 ChemAxon inchi InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3 ChemAxon inchikey AFCDXKGLUDDXCK-UHFFFAOYSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 115.47 ChemAxon polarizability 46.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1256320 Specdb::MsMs 1256321 Specdb::MsMs 1256322 Specdb::MsMs 1371496 Specdb::MsMs 1371497 Specdb::MsMs 1371498 Specdb::MsMs 3606733 Specdb::MsMs 3606734 Specdb::MsMs 3606735 Specdb::MsMs 3606736 Specdb::MsMs 3606737 Specdb::MsMs 3606738 German camomile Type 1 specific Matricaria recutita 127986