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CHEBI:66089 - isosecotanapartholide
| Formula | C15H18O5 |
| Net Charge | 0 |
| Average Mass | 278.304 |
| Monoisotopic Mass | 278.11542 |
| SMILES | C=C1C(=O)O[C@H](C2=C(C)[C@@H](O)CC2=O)[C@H]1CCC(C)=O |
| InChI | InChI=1S/C15H18O5/c1-7(16)4-5-10-8(2)15(19)20-14(10)13-9(3)11(17)6-12(13)18/h10-11,14,17H,2,4-6H2,1,3H3/t10-,11-,14-/m0/s1 |
| InChIKey | XXYRTFCLQHKIDU-MJVIPROJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Artemisia rutifolia (ncbitaxon:205374) | - | DOI (10.1016/0031-9422(86)80021-8) | |
| Artemisia iwayomogi (ncbitaxon:265784) | - | PubMed (12735688) |
| Roles Classification |
|---|
| Biological Roles: | EC 1.14.13.39 (nitric oxide synthase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isosecotanapartholide (CHEBI:66089) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| isosecotanapartholide (CHEBI:66089) has role metabolite (CHEBI:25212) |
| isosecotanapartholide (CHEBI:66089) is a butan-4-olide (CHEBI:22950) |
| isosecotanapartholide (CHEBI:66089) is a enone (CHEBI:51689) |
| isosecotanapartholide (CHEBI:66089) is a methyl ketone (CHEBI:51867) |
| isosecotanapartholide (CHEBI:66089) is a secondary alcohol (CHEBI:35681) |
| isosecotanapartholide (CHEBI:66089) is a sesquiterpene lactone (CHEBI:37667) |
| IUPAC Name |
|---|
| (4S,5S)-5-[(3S)-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)dihydrofuran-2(3H)-one |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6521695 | Reaxys |
| Citations |
|---|