1.0 2010-04-08 22:05:04 UTC 2025-11-18 22:32:27 UTC FDB001668 Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside 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. Thus, luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside is considered to be a flavonoid lipid molecule. Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside can be found in a number of food items such as yellow bell pepper, green bell pepper, italian sweet red pepper, and red bell pepper, which makes luteolin 7-o-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside a potential biomarker for the consumption of these food products. C35H40O23 828.682 828.196037548 3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid 3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid 612844-31-2 [H][C@@]1(OC2([H])[C@]([H])(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)OC([H])(COC(=O)CC(O)=O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)OCC(O)(CO)[C@]1([H])O InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20?,21?,25-,26+,27?,28+,29-,30?,31-,32+,33-,34+,35?/m1/s1 UAGBVLJNVRPERW-GGBSEEMMSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Carboxylic acid esters Carboxylic acids Catechols Chromones Dicarboxylic acids and derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1,3-dicarbonyl compound 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Dicarboxylic acid or derivatives Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid Flavones and Flavonols logp -0.14 ALOGPS logs -2.26 ALOGPS solubility 4.54e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid ChemAxon average_mass 828.682 ChemAxon mono_mass 828.196037548 ChemAxon smiles [H][C@@]1(OC2([H])[C@]([H])(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)OC([H])(COC(=O)CC(O)=O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)OCC(O)(CO)[C@]1([H])O ChemAxon formula C35H40O23 ChemAxon inchi InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20?,21?,25-,26+,27?,28+,29-,30?,31-,32+,33-,34+,35?/m1/s1 ChemAxon inchikey UAGBVLJNVRPERW-GGBSEEMMSA-N ChemAxon polar_surface_area 367.81 ChemAxon refractivity 181.62 ChemAxon polarizability 77.91 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 22 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88926 Specdb::MsMs 88927 Specdb::MsMs 88928 Specdb::MsMs 151743 Specdb::MsMs 151744 Specdb::MsMs 151745 Specdb::MsMs 3598040 Specdb::MsMs 3598041 Specdb::MsMs 3598042 Specdb::MsMs 3598043 Specdb::MsMs 3598044 Specdb::MsMs 3598045 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072