1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:23 UTC FDB018233 Luteolin 3'-(3''-acetylglucuronide) Isolated from Rosmarinus officinalis (rosemary). Luteolin 3'-(3''-acetylglucuronide) is found in herbs and spices and rosemary. 3',4',5,7-Tetrahydroxyflavone 3'-O-(O-acetyl-b-D-glucuronopyranoside) Luteolin 3'-(acetylglucuronide) Luteolin 3'-acetylglucuronide Luteolin 3'-O-(O-acetyl-b-D-glucuronopyranoside) C23H20O13 504.3971 504.090390726 (2S,3S,4S,5R,6S)-4-(acetyloxy)-6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6S)-4-(acetyloxy)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid 160598-98-1 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2O)C2=CC(=O)C3=C(O2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O InChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19+,20-,21-,23+/m0/s1 ODVPGHBKUZXZJN-DXGJXXFVSA-N belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Flavonoid O-glucuronides 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 7-hydroxyflavonoids Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Flavone Flavonoid-3p-o-glucuronide Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.97 ALOGPS logs -2.77 ALOGPS solubility 8.49e-01 g/l ALOGPS melting_point Mp 177-180° logp 0.9 ChemAxon pka_strongest_acidic 3 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-4-(acetyloxy)-6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid ChemAxon average_mass 504.3971 ChemAxon mono_mass 504.090390726 ChemAxon smiles CC(=O)O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2O)C2=CC(=O)C3=C(O2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O ChemAxon formula C23H20O13 ChemAxon inchi InChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19+,20-,21-,23+/m0/s1 ChemAxon inchikey ODVPGHBKUZXZJN-DXGJXXFVSA-N ChemAxon polar_surface_area 209.51 ChemAxon refractivity 116.06 ChemAxon polarizability 46.64 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17766 Specdb::CMs 46071 Specdb::MsMs 96546 Specdb::MsMs 96547 Specdb::MsMs 96548 Specdb::MsMs 161052 Specdb::MsMs 161053 Specdb::MsMs 161054 Specdb::MsMs 2698626 Specdb::MsMs 2698627 Specdb::MsMs 2698628 Specdb::MsMs 2983241 Specdb::MsMs 2983242 Specdb::MsMs 2983243 HMDB38808 #<Reference:0x000055ce332d96d0> Herbs and Spices Unknown generic Rosemary Type 1 specific Rosmarinus officinalis 39367