CHEBI:65548 - caffeoylglycolic acid methyl ester

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ChEBI Name caffeoylglycolic acid methyl ester
ChEBI ID CHEBI:65548
Definition A cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H12O6
Net Charge 0
Average Mass 252.22010
Monoisotopic Mass 252.06339
InChI InChI=1S/C12H12O6/c1-17-12(16)7-18-11(15)5-3-8-2-4-9(13)10(14)6-8/h2-6,13-14H,7H2,1H3/b5-3+
InChIKey BTLDPXVDOAPOIR-HWKANZROSA-N
SMILES COC(=O)COC(=O)\C=C\c1ccc(O)c(O)c1
Metabolite of Species Details
Parthenocissus tricuspidata (NCBI:txid345127) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing caffeoylglycolic acid methyl ester (CHEBI:65548) has functional parent trans-caffeic acid (CHEBI:16433)
caffeoylglycolic acid methyl ester (CHEBI:65548) has functional parent glycolic acid (CHEBI:17497)
caffeoylglycolic acid methyl ester (CHEBI:65548) has role plant metabolite (CHEBI:76924)
caffeoylglycolic acid methyl ester (CHEBI:65548) has role radical scavenger (CHEBI:48578)
caffeoylglycolic acid methyl ester (CHEBI:65548) is a catechols (CHEBI:33566)
caffeoylglycolic acid methyl ester (CHEBI:65548) is a cinnamate ester (CHEBI:36087)
caffeoylglycolic acid methyl ester (CHEBI:65548) is a methyl ester (CHEBI:25248)
IUPAC Name
2-methoxy-2-oxoethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Registry Number Type Source
11261689 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15089035 PubMed citation Europe PMC
Last Modified
11 March 2015