CHEBI:132714 - ethyl trans-caffeate

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ChEBI Name ethyl trans-caffeate ChEBI ID CHEBI:132714 ChEBI ASCII Name ethyl trans-caffeate Definition An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. Stars This entity has been manually annotated by the ChEBI Team. Submitter qingping liu Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C11H12O4 Net Charge 0 Average Mass 208.211 Monoisotopic Mass 208.07356 InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ InChIKey WDKYDMULARNCIS-GQCTYLIASA-N SMILES C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O Metabolite of Species Details Bistorta amplexicaulis subsp. sinensis (NCBI:txid1224212) See: Journal of Medicinal Plants Research Vol., 4 May 2011, 5(9), 1685–1691 Ligularia fischeri (NCBI:txid186954) See: PubMed Bidens pilosa (NCBI:txid42337) See: PubMed Roles Classification Application(s): anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing ethyl trans-caffeate (CHEBI:132714) has functional parent trans-caffeic acid (CHEBI:16433) ethyl trans-caffeate (CHEBI:132714) has role anti-inflammatory agent (CHEBI:67079) ethyl trans-caffeate (CHEBI:132714) has role antineoplastic agent (CHEBI:35610) ethyl trans-caffeate (CHEBI:132714) is a alkyl caffeate ester (CHEBI:65331) ethyl trans-caffeate (CHEBI:132714) is a ethyl ester (CHEBI:23990) IUPAC Name ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Synonyms Sources (E)-ethyl 3,4-dihydroxycinnamate ChEBI (E)-ethyl 3-(3,4-dihydroxyphenyl)acrylate ChEBI (E)-ethyl caffeate ChEBI ethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate IUPAC ethyl 3,4-dihydroxycinnamate ChEBI ethyl caffeate ChemIDplus Manual Xrefs Databases 5317238 PubChem Ethyl_caffeate Wikipedia View more database links Registry Numbers Types Sources 102-37-4 CAS Registry Number ChemIDplus 2106401 Reaxys Registry Number Reaxys Citations Types Sources 16041399 PubMed citation Europe PMC 19813225 PubMed citation Europe PMC 23050660 PubMed citation Europe PMC 24892518 PubMed citation Europe PMC 7334427 PubMed citation Europe PMC Last Modified 04 August 2016