EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:114954 - sodium ferulate
| Formula | C10H9O4.Na |
| Net Charge | 0 |
| Average Mass | 216.168 |
| Monoisotopic Mass | 216.03985 |
| SMILES | COc1cc(/C=C/C(=O)[O-])ccc1O.[Na+] |
| InChI | InChI=1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);/q;+1/p-1/b5-3+; |
| InChIKey | NCTHNHPAQAVBEB-WGCWOXMQSA-M |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Angelica sinensis (ncbitaxon:165353) | - | PubMed (25538068) | |
| Ligusticum sinense (ncbitaxon:49555) | - | PubMed (26521454) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. apoptosis inhibitor Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. MALDI matrix material A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material). cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sodium ferulate (CHEBI:114954) has part trans-ferulate (CHEBI:29749) |
| sodium ferulate (CHEBI:114954) has role anti-inflammatory agent (CHEBI:67079) |
| sodium ferulate (CHEBI:114954) has role antioxidant (CHEBI:22586) |
| sodium ferulate (CHEBI:114954) has role apoptosis inhibitor (CHEBI:68494) |
| sodium ferulate (CHEBI:114954) has role cardioprotective agent (CHEBI:77307) |
| sodium ferulate (CHEBI:114954) has role MALDI matrix material (CHEBI:64345) |
| sodium ferulate (CHEBI:114954) has role plant metabolite (CHEBI:76924) |
| sodium ferulate (CHEBI:114954) is a organic sodium salt (CHEBI:38700) |
| IUPAC Name |
|---|
| sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Synonyms | Source |
|---|---|
| 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid monosodium salt | ChemIDplus |
| Monosodium 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate | ChemIDplus |
| Monosodium 4-hydroxy-3-methoxycinnamate | ChemIDplus |
| Sodium 3-methoxy-4-hydroxycinnamate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Sodium_ferulate | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6622805 | Reaxys |
| CAS:24276-84-4 | ChemIDplus |
| Citations |
|---|