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CHEBI:86904 - 4-coumaric acid methyl ester
| Formula | C10H10O3 |
| Net Charge | 0 |
| Average Mass | 178.187 |
| Monoisotopic Mass | 178.06299 |
| 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 |
| InChIKey | NITWSHWHQAQBAW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neolentinus lepideus (ncbitaxon:38799) | - | PubMed (13595927) | Species also known as Lentinus lepideus. |
| Ziziphus jujuba (ncbitaxon:326968) | - | PubMed (30794401) | |
| Sophora alopecuroides (ncbitaxon:200492) | seed (BTO:0001226) | PubMed (31963799) | |
| Vachellia campechiana (ncbitaxon:138019) | leaf (BTO:0000713) | PubMed (28414046) | Species also known as Acacia cochliacantha. |
| Allium cepa (ncbitaxon:4679) | - | DOI (10.1016/j.phytochem.2007.01.021) |
| Roles Classification |
|---|
| Biological Roles: | 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. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| Applications: | 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 Relation(s) |
| 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 Relation(s) |
| (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 | Source |
|---|---|
| methyl p-coumarate | ChemIDplus |
| 4-hydroxycinnamic acid methyl ester | ChemIDplus |
| methyl 4-hydroxycinnamate | ChemIDplus |
| methyl p-hydroxycinnamate | ChemIDplus |
| p-hydroxycinnamic acid methyl ester | ChemIDplus |
| p-coumaric acid methyl ester | NIST Chemistry WebBook |
| Citations |
|---|