4-coumaric acid methyl ester
CHEBI:86904
·resolve ·ANTIFUNGAL
·EXACT
SEEDED
A cinnamate ester that is the methyl ester of 4-coumaric acid. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C10H10O3 |
|---|
| Charge | 0 |
|---|
| Average mass | 178.187 Da |
|---|
| Monoisotopic mass | 178.06299 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | NITWSHWHQAQBAW-UHFFFAOYSA-N |
|---|
SMILES
[H]C(=Cc1ccc(O)cc1)C(=O)OC
InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3
Also called
- methyl 3-(4-hydroxyphenyl)prop-2-enoate (EXACT_SYNONYM)— chebi
- 4-hydroxycinnamic acid methyl ester (EXACT_SYNONYM)— chebi
- methyl 4-coumarate (EXACT_SYNONYM)— chebi
- methyl 4-hydroxycinnamate (EXACT_SYNONYM)— chebi
- methyl ester of p-hydroxycinnamic acid (EXACT_SYNONYM)— chebi
- methyl p-coumarate (EXACT_SYNONYM)— chebi
- methyl p-hydroxycinnamate (EXACT_SYNONYM)— chebi
- methyl-p-coumarate (EXACT_SYNONYM)— chebi
- p-coumaric acid methyl ester (EXACT_SYNONYM)— chebi
- p-hydroxycinnamic acid methyl ester (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:3943-97-3
- chemspider:83243
- foodb.food:FDB001825
- hmdb:HMDB0131168
- knapsack:C00032012
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:86904 |
4-coumaric acid methyl ester |
antibioticmech:chebi-f84903068d |
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.