1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:27 UTC FDB019393 4''-O-Acetylafzelin Constituent of Zingiber zerumbet (wild ginger). 4''-O-Acetylafzelin is found in herbs and spices. 4''-O-Acetylafzelin Kaempferol 3-(4''-acetylrhamnoside) C23H22O11 474.4142 474.116211546 6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate 6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate 135618-17-6 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC(C)=O InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3 AGQLGMXLTFMOAP-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Pyranones and derivatives Secondary alcohols 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 Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Pyran Pyranone Secondary alcohol Vinylogous acid logp 2.45 ALOGPS logs -2.76 ALOGPS solubility 8.31e-01 g/l ALOGPS melting_point Mp 199-201° logp 1.65 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate ChemAxon average_mass 474.4142 ChemAxon mono_mass 474.116211546 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1OC(C)=O ChemAxon formula C23H22O11 ChemAxon inchi InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3 ChemAxon inchikey AGQLGMXLTFMOAP-UHFFFAOYSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 114.9 ChemAxon polarizability 45.88 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14824 Specdb::CMs 46553 Specdb::CMs 136385 Specdb::CMs 144119 Specdb::MsMs 79524 Specdb::MsMs 79525 Specdb::MsMs 79526 Specdb::MsMs 140151 Specdb::MsMs 140152 Specdb::MsMs 140153 Specdb::MsMs 2705297 Specdb::MsMs 2705298 Specdb::MsMs 2705299 Specdb::MsMs 3003235 Specdb::MsMs 3003236 Specdb::MsMs 3003237 HMDB39746 #<Reference:0x000055ce3189c4c0> Herbs and Spices Unknown generic