EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6856 - methyl caffeate

Default Structure
ChEBI IDCHEBI:6856
ChEBI Namemethyl caffeate
Stars
DefinitionAn alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol.
Last Modified11 October 2024
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
InChIKeyOCNYGKNIVPVPPX-HWKANZROSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
methyl caffeate (CHEBI:6856) is a alkyl caffeate ester (CHEBI:65331)
methyl caffeate (CHEBI:6856) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms  Source
Caffeic acid, methyl esterChemIDplus
Methyl caffeateKEGG COMPOUND
UniProt Name  Source
methyl (E)-caffeateUniProt
Manual XrefsDatabases
C00002759KNApSAcK
C10477KEGG COMPOUND
Methyl_caffeateWikipedia
Registry NumbersSources
Reaxys:2938303Reaxys
CAS:3843-74-1ChemIDplus
CAS:3843-74-1KEGG COMPOUND
Citations