1.0 2010-04-08 22:12:35 UTC 2025-11-19 01:49:06 UTC FDB016679 Limocitrin 3-rhamnoside Isolated from Citrus subspecies fruit peels. Limocitrin 3-rhamnoside is found in citrus. Limocitrin 3-rhamnoside C23H24O12 492.4295 492.126776232 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 90456-56-7 COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3 CCEZJODARJJBDK-UHFFFAOYSA-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzoyl derivatives Carboxylic acid esters Chromones Flavanones Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Ether Flavan Flavanone Flavonoid-7-o-glycoside Gallic acid or derivatives Galloyl ester Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenolic glycoside Polyol Pyrogallol derivative Secondary alcohol Vinylogous acid logp 1.57 ALOGPS logs -2.64 ALOGPS solubility 1.14e+00 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 492.4295 ChemAxon mono_mass 492.126776232 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O ChemAxon formula C23H24O12 ChemAxon inchi InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3 ChemAxon inchikey CCEZJODARJJBDK-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 118.68 ChemAxon polarizability 47.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18530 Specdb::CMs 45473 Specdb::CMs 154709 Specdb::MsMs 79287 Specdb::MsMs 79288 Specdb::MsMs 79289 Specdb::MsMs 139845 Specdb::MsMs 139846 Specdb::MsMs 139847 Specdb::MsMs 3057577 Specdb::MsMs 3057578 Specdb::MsMs 3057579 Specdb::MsMs 3112361 Specdb::MsMs 3112362 Specdb::MsMs 3112363 HMDB37578 #<Reference:0x000055ce31fadb10> Citrus Unknown generic