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CHEBI:65919 - fukanemarin A
| Formula | C24H28O5 |
| Net Charge | 0 |
| Average Mass | 396.483 |
| Monoisotopic Mass | 396.19367 |
| SMILES | CC(C)=CC(=O)C/C(C)=C/C/C=C(\C)C(C)c1c(O)c2ccc(O)cc2oc1=O |
| InChI | InChI=1S/C24H28O5/c1-14(2)11-19(26)12-15(3)7-6-8-16(4)17(5)22-23(27)20-10-9-18(25)13-21(20)29-24(22)28/h7-11,13,17,25,27H,6,12H2,1-5H3/b15-7+,16-8+ |
| InChIKey | PTNBQZMCTYXNSQ-BGPOSVGRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ferula fukanensis (IPNI:842281-1) | root (BTO:0001188) | PubMed (15043424) |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fukanemarin A (CHEBI:65919) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| fukanemarin A (CHEBI:65919) has role metabolite (CHEBI:25212) |
| fukanemarin A (CHEBI:65919) is a hydroxycoumarin (CHEBI:37912) |
| fukanemarin A (CHEBI:65919) is a ketone (CHEBI:17087) |
| fukanemarin A (CHEBI:65919) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 4,7-dihydroxy-3-[(3E,6E)-3,7,11-trimethyl-9-oxododeca-3,6,10-trien-2-yl]-2H-chromen-2-one |
| Synonym | Source |
|---|---|
| 4,7-dihydroxy-3-(1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl)coumarin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 10186014 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10217742 | Reaxys |
| Citations |
|---|