phenethyl caffeate

CHEBI:8062 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:65331 CHEBI:65331

Chemical structure

Computed structure properties
Molecular formula	C17H16O4
Charge	0
Average mass	284.311 Da
Monoisotopic mass	284.10486 Da
Source	ChEBI
InChIKey	SWUARLUWKZWEBQ-VQHVLOKHSA-N

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1

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+

Also called

2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (EXACT_SYNONYM)— chebi
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate (EXACT_SYNONYM)— chebi
2-phenylethyl caffeate (EXACT_SYNONYM)— chebi
CAPE (EXACT_SYNONYM)— chebi
Caffeic acid phenethyl ester (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:104594-70-9
cas:115610-29-2
kegg.compound:C10484
knapsack:C00002766
patent:US2008167277
patent:WO2008006070
pdb-ccd:QAP
reaxys:4752508
wikipedia.en:Caffeic_acid_phenethyl_ester

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:22587 CHEBI:22587
CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:8062`	phenethyl caffeate	`antibioticmech:chebi-0de032f771`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.