1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:19 UTC FDB015227 Glycerol trisinapate Constituent of Raphanus sativus (radish). Glycerol trisinapate is found in root vegetables. Glycerol trisinapate Tri-O-sinapoylglycerol C36H38O15 710.6779 710.221070546 1,3-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 1,3-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate COC1=CC(\C=C\C(=O)OCC(COC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)OC(=O)\C=C\C2=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/b10-7+,11-8+,12-9+ FEUWBELGELLWPV-SRDSWEMOSA-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({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate ChemAxon average_mass 710.6779 ChemAxon mono_mass 710.221070546 ChemAxon smiles COC1=CC(\C=C\C(=O)OCC(COC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)OC(=O)\C=C\C2=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/b10-7+,11-8+,12-9+ ChemAxon inchikey FEUWBELGELLWPV-SRDSWEMOSA-N ChemAxon polar_surface_area 194.97 ChemAxon refractivity 183.94 ChemAxon polarizability 73.59 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 12 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 643486 Specdb::MsMs 643487 Specdb::MsMs 643488 Specdb::MsMs 2422581 Specdb::MsMs 2422582 Specdb::MsMs 2422583 Specdb::MsMs 2512530 Specdb::MsMs 2512531 Specdb::MsMs 2512532 Specdb::MsMs 2598298 Specdb::MsMs 2598299 Specdb::MsMs 2598300 Specdb::MsMs 2620550 Specdb::MsMs 2620551 Specdb::MsMs 2620552 Specdb::MsMs 2720607 Specdb::MsMs 2720608 Specdb::MsMs 2720609 Specdb::CMs 754852 Specdb::CMs 754853 Specdb::CMs 754854 Specdb::CMs 754855 Specdb::CMs 754856 Specdb::CMs 754857 HMDB36353 #<Reference:0x000055ce32fa11c0> Root vegetables Unknown generic