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CHEBI:8062 - phenethyl caffeate

Default Structure
ChEBI IDCHEBI:8062
ChEBI Namephenethyl caffeate
Stars
DefinitionAn alkyl caffeate ester in which 2-phenylethyl is the alkyl component.
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1
InChIInChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChIKeySWUARLUWKZWEBQ-VQHVLOKHSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
phenethyl caffeate (CHEBI:8062) has role anti-inflammatory agent (CHEBI:67079)
phenethyl caffeate (CHEBI:8062) has role antibacterial agent (CHEBI:33282)
phenethyl caffeate (CHEBI:8062) has role antineoplastic agent (CHEBI:35610)
phenethyl caffeate (CHEBI:8062) has role antioxidant (CHEBI:22586)
phenethyl caffeate (CHEBI:8062) has role antiviral agent (CHEBI:22587)
phenethyl caffeate (CHEBI:8062) has role immunomodulator (CHEBI:50846)
phenethyl caffeate (CHEBI:8062) has role metabolite (CHEBI:25212)
phenethyl caffeate (CHEBI:8062) has role neuroprotective agent (CHEBI:63726)
phenethyl caffeate (CHEBI:8062) is a alkyl caffeate ester (CHEBI:65331)
IUPAC Name 
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms  Source
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylateIUPAC
2-phenylethyl caffeateChEBI
Caffeic acid phenethyl esterKEGG COMPOUND
CAPEChEBI
Manual XrefsDatabases
C00002766KNApSAcK
C10484KEGG COMPOUND
Caffeic_acid_phenethyl_esterWikipedia
QAPPDBeChem
US2008167277Patent
WO2008006070Patent
Registry NumbersSources
Reaxys:4752508Reaxys
CAS:104594-70-9KEGG COMPOUND
CAS:115610-29-2ChemIDplus
Citations