phenethyl caffeate (CHEBI:8062)

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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.

Supplier Information	ChemicalBook:CB2438898, ChemicalBook:CB6438896, eMolecules:536491, ZINC000000001083

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Formula

C17H16O4

Net Charge

Average Mass

284.30650

Monoisotopic Mass

284.10486

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 (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.

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.

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

Manual Xrefs	Databases
C00002766	KNApSAcK
C10484	KEGG COMPOUND
Caffeic_acid_phenethyl_ester	Wikipedia
QAP	PDBeChem
US2008167277	Patent
WO2008006070	Patent
View more database links

Last Modified

28 July 2014