1.02010-04-08 22:13:24 UTC2019-11-26 03:15:28 UTCFDB017938Methyl 3,4,5-trimethoxycinnamateIsolated from Piper longum (long pepper) and other plant subspecies Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices.Methyl 3,4,5-trimethoxycinnamateC13H16O5252.2631252.099773622methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoatemethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate20329-96-8COC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+KLXHCGFNNUQTEY-AATRIKPKSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.Coumaric acids and derivativesOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivativesAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesCarbonyl compoundsCinnamic acid estersEnoate estersFatty acid estersHydrocarbon derivativesMethoxybenzenesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsStyrenesAlkyl aryl etherAlpha,beta-unsaturated carboxylic esterAnisoleAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCoumaric acid or derivativesEnoate esterEtherFatty acid esterFatty acylHydrocarbon derivativeMethoxybenzeneMethyl esterMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol etherPhenoxy compoundStyrenealkyl cinnamatemethoxybenzenelogp2.53logs-3.51solubility7.86e-02 g/lmelting_pointMp 99-100°logp2.04pka_strongest_basic-4.4iupacmethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoateaverage_mass252.2631mono_mass252.099773622smilesCOC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1formulaC13H16O5inchiInChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+inchikeyKLXHCGFNNUQTEY-AATRIKPKSA-Npolar_surface_area53.99refractivity67.22polarizability26.6rotatable_bond_count6acceptor_count4donor_count0physiological_charge0formal_charge0Specdb::CMs9851Specdb::CMs146637Specdb::MsMs99528Specdb::MsMs99529Specdb::MsMs99530Specdb::MsMs164670Specdb::MsMs164671Specdb::MsMs164672Specdb::MsMs452061Specdb::MsMs452062Specdb::MsMs2226607Specdb::MsMs2228138Specdb::MsMs2230501Specdb::MsMs2373207Specdb::MsMs2373208Specdb::MsMs2373209Specdb::MsMs2566046Specdb::MsMs2566047Specdb::MsMs2566048HMDB38551#<Reference:0x00005556761d0868>Herbs and SpicesUnknowngeneric