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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.
antiviral agent  A substance that destroys or inhibits replication of viruses.
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.
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