CHEBI:86898 - methyl-3,4,5-trimethoxy cinnamate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl-3,4,5-trimethoxy cinnamate
ChEBI ID CHEBI:86898
Definition An alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H16O5
Net Charge 0
Average Mass 252.26310
Monoisotopic Mass 252.09977
InChI InChI=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+
InChIKey KLXHCGFNNUQTEY-AATRIKPKSA-N
SMILES COC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing methyl-3,4,5-trimethoxy cinnamate (CHEBI:86898) is a alkyl cinnamate (CHEBI:17958)
methyl-3,4,5-trimethoxy cinnamate (CHEBI:86898) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Synonym Source
3,4,5-trimethoxycinnamic acid methyl ester ChEBI
Registry Number Type Source
2700796 Reaxys Registry Number Reaxys
Last Modified
27 July 2015