EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132714 - ethyl trans-caffeate

ChEBI IDCHEBI:132714
ChEBI Nameethyl trans-caffeate
Stars
ASCII Nameethyl trans-caffeate
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol.
Last Modified4 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=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+
InChIKeyWDKYDMULARNCIS-GQCTYLIASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Ligularia fischeri (ncbitaxon:186954) - PubMed (24892518)
Bidens pilosa (ncbitaxon:42337) - PubMed (16041399)
Bistorta amplexicaulis subsp. sinensis (ncbitaxon:1224212) - Article (Journal of Medicinal Plants Research Vol., 4 May 2011, 5(9), 1685–1691)
Roles Classification
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
ethyl (2E)-3-(3,4-dihydroxyphenyl)acrylateIUPAC
(E)-ethyl 3,4-dihydroxycinnamateChEBI
ethyl 3,4-dihydroxycinnamateChEBI
ethyl caffeateChemIDplus
(E)-ethyl caffeateChEBI
(E)-ethyl 3-(3,4-dihydroxyphenyl)acrylateChEBI
Manual XrefsDatabases
5317238PubChem Compound
Ethyl_caffeateWikipedia
Registry NumbersSources
Reaxys:2106401Reaxys
CAS:102-37-4ChemIDplus
Citations