1.0 2010-04-08 22:13:35 UTC 2019-11-26 03:15:54 UTC FDB018242 2''-Acetylisoorientin Isolated from sorrel leaves (Rumex acetosa). 2''-Acetylisoorientin is found in green vegetables and sorrel. 2''-Acetyl isoorientin 2''-Acetylisoorientin 2''-O-Acetylisoorientin Isoorientin 2''-acetate C23H22O12 490.4136 490.111126168 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate 131508-00-4 CC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3 LZCYTIIPENLJKB-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Carbonyl compounds Carboxylic acid esters Catechols Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Dialkyl ether Ether Flavone Flavonoid c-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.20 ALOGPS logs -2.63 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 209-210° logp 0.087 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate ChemAxon average_mass 490.4136 ChemAxon mono_mass 490.111126168 ChemAxon smiles CC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O ChemAxon formula C23H22O12 ChemAxon inchi InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3 ChemAxon inchikey LZCYTIIPENLJKB-UHFFFAOYSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 117.16 ChemAxon polarizability 47.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19728 Specdb::CMs 46078 Specdb::CMs 135940 Specdb::CMs 143674 Specdb::MsMs 102144 Specdb::MsMs 102145 Specdb::MsMs 102146 Specdb::MsMs 167886 Specdb::MsMs 167887 Specdb::MsMs 167888 Specdb::MsMs 2772548 Specdb::MsMs 2772549 Specdb::MsMs 2772550 Specdb::MsMs 2909255 Specdb::MsMs 2909256 Specdb::MsMs 2909257 HMDB38816 #<Reference:0x000055ce321e31c8> Green vegetables Unknown generic Sorrel Type 1 specific Rumex acetosa 41241