CHEBI:8062 - phenethyl caffeate

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ChEBI Name phenethyl caffeate
ChEBI ID CHEBI:8062
Definition An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H16O4
Net Charge 0
Average Mass 284.30650
Monoisotopic Mass 284.105
InChI InChI=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+
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): 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.
antibacterial agent
A substance 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate IUPAC
2-phenylethyl caffeate ChEBI
Caffeic acid phenethyl ester KEGG COMPOUND
CAPE ChEBI
Database Links Databases
C00002766 KNApSAcK
C10484 KEGG COMPOUND
Caffeic_acid_phenethyl_ester Wikipedia
QAP PDBeChem
US2008167277 Patent
WO2008006070 Patent
View more database links
Registry Numbers Types Sources
104594-70-9 CAS Registry Number KEGG COMPOUND
115610-29-2 CAS Registry Number ChemIDplus
4752508 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
28 July 2014