1.0 2010-04-08 22:07:53 UTC 2025-11-18 23:06:10 UTC FDB008036 Glycerol sinapate Glycerol sinapate, also known as glycerol sinapic acid, is a member of the class of compounds known as triacylglycerols. Triacylglycerols are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Glycerol sinapate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Glycerol sinapate can be found in radish, which makes glycerol sinapate a potential biomarker for the consumption of this food product. C36H38O15 710.685 710.221070524 1,3-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 1,3-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate COC1=CC(C=CC(=O)OCC(COC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)OC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3 FEUWBELGELLWPV-UHFFFAOYSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Dimethoxybenzenes Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxyphenols Organic oxides Phenoxy compounds Styrenes Tricarboxylic acids and derivatives Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Dimethoxybenzene Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxycinnamic acid or derivatives M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 4.41 ALOGPS logs -5.40 ALOGPS solubility 2.81e-03 g/l ALOGPS logp 5.41 ChemAxon pka_strongest_acidic 8.81 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate ChemAxon average_mass 710.685 ChemAxon mono_mass 710.221070524 ChemAxon smiles COC1=CC(C=CC(=O)OCC(COC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)OC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O ChemAxon formula C36H38O15 ChemAxon inchi InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3 ChemAxon inchikey FEUWBELGELLWPV-UHFFFAOYSA-N ChemAxon polar_surface_area 194.97 ChemAxon refractivity 183.94 ChemAxon polarizability 73.51 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 12 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45156 Specdb::MsMs 45157 Specdb::MsMs 45158 Specdb::MsMs 163047 Specdb::MsMs 163048 Specdb::MsMs 163049 Specdb::MsMs 3604664 Specdb::MsMs 3604665 Specdb::MsMs 3604666 Specdb::MsMs 3604667 Specdb::MsMs 3604668 Specdb::MsMs 3604669 Specdb::MsMs 3604670 Specdb::MsMs 3604671 Specdb::MsMs 3604672 Radish Type 1 specific Raphanus sativus 3726