1.0 2010-04-08 22:04:51 UTC 2025-11-18 22:28:29 UTC FDB001152 Kaempferol 3-feruloylapioside Constituent of the bracken fern Pteridium aquilinum. Kaempferol 3-feruloylapioside is found in green vegetables and root vegetables. Kaempferol 3-(feruloylapioside) Kaempferol 3-feruloylapioside C30H26O13 594.525 594.137340897 [(4S,5S)-5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [(4S,5S)-5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 185066-55-1 [H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OCC1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]1([H])O InChI=1S/C30H26O13/c1-39-21-10-15(2-8-19(21)33)3-9-23(35)40-13-30(38)14-41-29(28(30)37)43-27-25(36)24-20(34)11-18(32)12-22(24)42-26(27)16-4-6-17(31)7-5-16/h2-12,28-29,31-34,37-38H,13-14H2,1H3/b9-3+/t28-,29+,30?/m1/s1 JXONCIVNSCDGQY-NJOAVTLJSA-N belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Chromones Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Pentoses Phenoxy compounds Pyranones and derivatives Secondary alcohols Styrenes Tertiary alcohols Tetrahydrofurans Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Flavone Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentose monosaccharide Phenol Phenol ether Phenoxy compound Pyran Pyranone Secondary alcohol Styrene Tertiary alcohol Tetrahydrofuran Vinylogous acid Flavones and Flavonols logp 2.97 ALOGPS logs -4.18 ALOGPS solubility 3.96e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -4 ChemAxon iupac [(4S,5S)-5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 594.525 ChemAxon mono_mass 594.137340897 ChemAxon smiles [H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OCC1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]1([H])O ChemAxon formula C30H26O13 ChemAxon inchi InChI=1S/C30H26O13/c1-39-21-10-15(2-8-19(21)33)3-9-23(35)40-13-30(38)14-41-29(28(30)37)43-27-25(36)24-20(34)11-18(32)12-22(24)42-26(27)16-4-6-17(31)7-5-16/h2-12,28-29,31-34,37-38H,13-14H2,1H3/b9-3+/t28-,29+,30?/m1/s1 ChemAxon inchikey JXONCIVNSCDGQY-NJOAVTLJSA-N ChemAxon polar_surface_area 201.67 ChemAxon refractivity 149.56 ChemAxon polarizability 58.73 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 49350 Specdb::MsMs 49351 Specdb::MsMs 49352 Specdb::MsMs 173244 Specdb::MsMs 173245 Specdb::MsMs 173246 Specdb::MsMs 3597184 Specdb::MsMs 3597185 Specdb::MsMs 3597186 Specdb::MsMs 3597187 Specdb::MsMs 3597188 Specdb::MsMs 3597189 Green vegetables Unknown generic Root vegetables Unknown generic