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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 |
|---|---|---|---|
| Allium cepa (ncbitaxon:4679) | - | DOI (10.1016/j.phytochem.2007.01.021) | |
| Neolentinus lepideus (ncbitaxon:38799) | - | PubMed (13595927) | Species also known as Lentinus lepideus. |
| Sophora alopecuroides (ncbitaxon:200492) | seed (BTO:0001226) | PubMed (31963799) | |
| Vachellia campechiana (ncbitaxon:138019) | leaf (BTO:0000713) | PubMed (28414046) | Species also known as Acacia cochliacantha. |
| Ziziphus jujuba (ncbitaxon:326968) | - | PubMed (30794401) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. melanin synthesis inhibitor A depigmentation agent which inhibits the synthesis of melanin. |
| 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 |
|---|---|
| 4-hydroxycinnamic acid methyl ester | ChemIDplus |
| p-coumaric acid methyl ester | NIST Chemistry WebBook |
| p-hydroxycinnamic acid methyl ester | ChemIDplus |
| methyl 4-coumarate | NIST Chemistry WebBook |
| methyl 4-hydroxycinnamate | ChemIDplus |
| methyl p-coumarate | ChemIDplus |
| Citations |
|---|