EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:2781 - apocynin
| Formula | C9H10O3 |
| Net Charge | 0 |
| Average Mass | 166.176 |
| Monoisotopic Mass | 166.06299 |
| SMILES | COc1cc(C(C)=O)ccc1O |
| InChI | InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 |
| InChIKey | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paeonia rockii subsp. rockii (ncbitaxon:459179) | root (BTO:0001188) | PubMed (21954959) | Isolated from chloroform soluble extract of air-dried and powdered roots |
| Cordyceps sinensis (ncbitaxon:72228) | mycelium (BTO:0001436) | PubMed (21848266) | Ethanolic extract of dried mycelia |
| Roles Classification |
|---|
| Biological Roles: | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor An EC 1.6.3.* (oxidoreductase acting on NADH or NADPH with oxygen as acceptor) inhibitor that interferes with the action of NAD(P)H oxidase (H2O2-forming), EC 1.6.3.1. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. antirheumatic drug A drug used to treat rheumatoid arthritis. peripheral nervous system drug A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system. non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| apocynin (CHEBI:2781) has role antirheumatic drug (CHEBI:35842) |
| apocynin (CHEBI:2781) has role EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor (CHEBI:50423) |
| apocynin (CHEBI:2781) has role non-narcotic analgesic (CHEBI:35481) |
| apocynin (CHEBI:2781) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| apocynin (CHEBI:2781) has role peripheral nervous system drug (CHEBI:49110) |
| apocynin (CHEBI:2781) has role plant metabolite (CHEBI:76924) |
| apocynin (CHEBI:2781) is a acetophenones (CHEBI:22187) |
| apocynin (CHEBI:2781) is a aromatic ketone (CHEBI:76224) |
| apocynin (CHEBI:2781) is a methyl ketone (CHEBI:51867) |
| IUPAC Name |
|---|
| 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one |
| Synonyms | Source |
|---|---|
| Apocynin | KEGG COMPOUND |
| Acetovanillone | KEGG COMPOUND |
| 4'-hydroxy-3'-methoxyacetophenone | ChemIDplus |
| 4-Acetyl-2-methoxyphenol | ChemIDplus |
| 4-Hydroxy-3-methoxyphenyl methyl ketone | ChemIDplus |
| Acetoguaiacone | ChemIDplus |
| Citations |
|---|