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CHEBI:35628 - (6-methoxy-2-naphthyl)acetic acid
| Formula | C13H12O3 |
| Net Charge | 0 |
| Average Mass | 216.236 |
| Monoisotopic Mass | 216.07864 |
| SMILES | COc1ccc2cc(CC(=O)O)ccc2c1 |
| InChI | InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15) |
| InChIKey | PHJFLPMVEFKEPL-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has functional parent 2-naphthylacetic acid (CHEBI:37837) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role drug metabolite (CHEBI:49103) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role xenobiotic metabolite (CHEBI:76206) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) is a methoxynaphthalene (CHEBI:48851) |
| (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| (6-methoxynaphthalen-2-yl)acetic acid |
| Synonyms | Source |
|---|---|
| 6-MNAA | ChEBI |
| 6-Methoxy-2-naphthylacetic acid | ChemIDplus |
| 6-methoxynaphth-2-ylacetic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2371586 | Reaxys |
| CAS:23981-47-7 | ChemIDplus |
| Citations |
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