Caffeic acid phenethyl ester
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Identity
Caffeic acid phenethyl ester
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
PubChem CID: 5281787
Phenethyl caffeate is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has a role as an antioxidant, an antiviral agent, a metabolite, an antibacterial agent, an antineoplastic agent, an immunomodulator, a neuroprotective agent and an anti-inflammatory agent.
2D Structure
Properties
C17H16O4
Molecular Formula
284.31
Molecular Weight
g/mol
284.1049
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Caffeic acid phenethyl esterPhenethyl caffeate104594-70-9CAPECapeee2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateCHEBI:8062G960R9S5SK2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoateDTXSID8040987CAPE compoundRefChem:573319DTXCID408103873-(3,4-Dihydroxyphenyl)-2-propenoic Acid, 2-Phenylethyl Estercaffeic acid phenyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Caffeic acid phenethyl ester
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