1.0 2011-03-17 23:25:36 UTC 2019-11-26 03:20:40 UTC FDB021649 2'-(4-Hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] 2'-(4-hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 2'-(4-hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2'-(4-hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] can be found in chinese cinnamon, which makes 2'-(4-hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] a potential biomarker for the consumption of this food product. 2'-(4-Hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside] Cassioside? C33H42O17 710.6764 710.242199918 2-acetyl-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-{[2-(4-hydroxyphenyl)acetyl]oxy}phenyl 4-hydroxy-3-methylbutanoate 2-acetyl-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-{[2-(4-hydroxyphenyl)acetyl]oxy}phenyl 4-hydroxy-3-methylbutanoate 119558-02-0 CC(CO)CC(=O)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)=CC(OC(=O)CC2=CC=C(O)C=C2)=C1C(C)=O InChI=1S/C33H42O17/c1-14(12-34)8-23(38)47-20-10-19(11-21(25(20)15(2)36)48-24(39)9-17-4-6-18(37)7-5-17)46-33-31(29(43)27(41)22(13-35)49-33)50-32-30(44)28(42)26(40)16(3)45-32/h4-7,10-11,14,16,22,26-35,37,40-44H,8-9,12-13H2,1-3H3 RODXFUFBAAPLPY-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Xanthophyll logp 0.41 ALOGPS logs -2.89 ALOGPS solubility 9.07e-01 g/l ALOGPS melting_point Mp 172? logp -0.95 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-acetyl-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-{[2-(4-hydroxyphenyl)acetyl]oxy}phenyl 4-hydroxy-3-methylbutanoate ChemAxon average_mass 710.6764 ChemAxon mono_mass 710.242199918 ChemAxon smiles CC(CO)CC(=O)OC1=CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)=CC(OC(=O)CC2=CC=C(O)C=C2)=C1C(C)=O ChemAxon formula C33H42O17 ChemAxon inchi InChI=1S/C33H42O17/c1-14(12-34)8-23(38)47-20-10-19(11-21(25(20)15(2)36)48-24(39)9-17-4-6-18(37)7-5-17)46-33-31(29(43)27(41)22(13-35)49-33)50-32-30(44)28(42)26(40)16(3)45-32/h4-7,10-11,14,16,22,26-35,37,40-44H,8-9,12-13H2,1-3H3 ChemAxon inchikey RODXFUFBAAPLPY-UHFFFAOYSA-N ChemAxon polar_surface_area 268.43 ChemAxon refractivity 166.05 ChemAxon polarizability 71.1 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1247704 Specdb::MsMs 1247705 Specdb::MsMs 1247706 Specdb::MsMs 1363030 Specdb::MsMs 1363031 Specdb::MsMs 1363032 Specdb::MsMs 3606676 Specdb::MsMs 3606677 Specdb::MsMs 3606678 Specdb::MsMs 3606679 Specdb::MsMs 3606680 Specdb::MsMs 3606681 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260