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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:8062 - phenethyl caffeate
Main
ChEBI Ontology
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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
284.10486
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.
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 (2
E
)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms
Sources
2-phenylethyl (2
E
)-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
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
Types
Sources
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Last Modified
28 July 2014