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CHEBI:65920 - fukanemarin B
| Formula | C25H28O5 |
| Net Charge | 0 |
| Average Mass | 408.494 |
| Monoisotopic Mass | 408.19367 |
| SMILES | COc1ccc2c(O)c(C(C)/C(C)=C/C/C=C(\C)Cc3cc(C)co3)c(=O)oc2c1 |
| InChI | InChI=1S/C25H28O5/c1-15(11-20-12-16(2)14-29-20)7-6-8-17(3)18(4)23-24(26)21-10-9-19(28-5)13-22(21)30-25(23)27/h7-10,12-14,18,26H,6,11H2,1-5H3/b15-7+,17-8+ |
| InChIKey | BPQMZQHENRZFOK-GXZANXLRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ferula fukanensis (IPNI:842281-1) | root (BTO:0001188) | PubMed (15467238) |
| 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 B (CHEBI:65920) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| fukanemarin B (CHEBI:65920) has role metabolite (CHEBI:25212) |
| fukanemarin B (CHEBI:65920) is a aromatic ether (CHEBI:35618) |
| fukanemarin B (CHEBI:65920) is a furans (CHEBI:24129) |
| fukanemarin B (CHEBI:65920) is a hydroxycoumarin (CHEBI:37912) |
| fukanemarin B (CHEBI:65920) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 3-[(3E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-3,6-dien-2-yl]-4-hydroxy-7-methoxy-2H-chromen-2-one |
| Synonym | Source |
|---|---|
| 4-hydroxy-7-methoxy-3-[1,2,6-trimethyl-7-(4-methyl-2-furyl)-hepta-2(E),5(E)-dienyl]-coumarin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9956760 | Reaxys |
| Citations |
|---|