4-coumaric acid methyl ester (CHEBI:86904)

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ChEBI Name	4-coumaric acid methyl ester

ChEBI ID	CHEBI:86904

Definition	A cinnamate ester that is the methyl ester of 4-coumaric acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O3

Net Charge

Average Mass

178.187

Monoisotopic Mass

178.06299

InChI

InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3

InChIKey

NITWSHWHQAQBAW-UHFFFAOYSA-N

SMILES

[H]C(=CC1=CC=C(O)C=C1)C(=O)OC

Metabolite of Species	Details
Vachellia campechiana (NCBI:txid138019)	Found in leaf (BTO:0000713). Species also known as Acacia cochliacantha. See: PubMed
Sophora alopecuroides (NCBI:txid200492)	Found in seed (BTO:0001226). See: PubMed
Ziziphus jujuba (NCBI:txid326968)	See: PubMed
Neolentinus lepideus (NCBI:txid38799)	Species also known as Lentinus lepideus. See: PubMed
Allium cepa (NCBI:txid4679)	See: DOI

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	melanin synthesis inhibitor A depigmentation agent which inhibits the synthesis of melanin. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	4-coumaric acid methyl ester (CHEBI:86904) has functional parent 4-coumaric acid (CHEBI:36090) 4-coumaric acid methyl ester (CHEBI:86904) has role anti-inflammatory agent (CHEBI:67079) 4-coumaric acid methyl ester (CHEBI:86904) has role antifungal agent (CHEBI:35718) 4-coumaric acid methyl ester (CHEBI:86904) has role fungal metabolite (CHEBI:76946) 4-coumaric acid methyl ester (CHEBI:86904) has role melanin synthesis inhibitor (CHEBI:64933) 4-coumaric acid methyl ester (CHEBI:86904) has role plant metabolite (CHEBI:76924) 4-coumaric acid methyl ester (CHEBI:86904) is a cinnamate ester (CHEBI:36087) 4-coumaric acid methyl ester (CHEBI:86904) is a methyl ester (CHEBI:25248) 4-coumaric acid methyl ester (CHEBI:86904) is a phenols (CHEBI:33853)

Incoming	(E)-4-coumaric acid methyl ester (CHEBI:194094) is a 4-coumaric acid methyl ester (CHEBI:86904)

IUPAC Name

methyl 3-(4-hydroxyphenyl)prop-2-enoate

Synonyms	Sources
4-hydroxycinnamic acid methyl ester	ChemIDplus
methyl 4-coumarate	NIST Chemistry WebBook
methyl 4-hydroxycinnamate	ChemIDplus
methyl ester of p-hydroxycinnamic acid	NIST Chemistry WebBook
methyl p-coumarate	ChemIDplus
methyl p-hydroxycinnamate	ChemIDplus
methyl-p-coumarate	ChEBI
p-coumaric acid methyl ester	NIST Chemistry WebBook
p-hydroxycinnamic acid methyl ester	ChemIDplus

Last Modified

24 June 2021