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CHEBI:53766 - acenocoumarol
| Formula | C19H15NO6 |
| Net Charge | 0 |
| Average Mass | 353.330 |
| Monoisotopic Mass | 353.08994 |
| SMILES | CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O |
| InChI | InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3 |
| InChIKey | VABCILAOYCMVPS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor An EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor that interferes with the action of NAD(P)H dehydrogenase (quinone), EC 1.6.5.2. |
| Application: | anticoagulant An agent that prevents blood clotting. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acenocoumarol (CHEBI:53766) has role anticoagulant (CHEBI:50249) |
| acenocoumarol (CHEBI:53766) has role EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor (CHEBI:50390) |
| acenocoumarol (CHEBI:53766) is a C-nitro compound (CHEBI:35716) |
| acenocoumarol (CHEBI:53766) is a hydroxycoumarin (CHEBI:37912) |
| acenocoumarol (CHEBI:53766) is a methyl ketone (CHEBI:51867) |
| Incoming Relation(s) |
| (R)-acenocoumarol (CHEBI:53768) is a acenocoumarol (CHEBI:53766) |
| (S)-acenocoumarol (CHEBI:53769) is a acenocoumarol (CHEBI:53766) |
| IUPAC Name |
|---|
| 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one |
| INNs | Source |
|---|---|
| acenocoumarol | KEGG DRUG |
| acenocoumarolum | DrugBank |
| acénocoumarol | WHO MedNet |
| acenocumarol | WHO MedNet |
| Synonyms | Source |
|---|---|
| Acenocoumarin | KEGG DRUG |
| Nicoumalone | DrugBank |
| Nicumalon | DrugBank |
| Nitrophenylacetylethyl-4-hydroxycoumarine | DrugBank |
| Nitrovarfarian | DrugBank |
| Nitrowarfarin | DrugBank |
| Citations |
|---|