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CHEBI:72763 - fumitremorgin C
| Formula | C22H25N3O3 |
| Net Charge | 0 |
| Average Mass | 379.460 |
| Monoisotopic Mass | 379.18959 |
| SMILES | [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c(nc4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |
| InChI | InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 |
| InChIKey | DBEYVIGIPJSTOR-FHWLQOOXSA-N |
| Roles Classification |
|---|
| Biological Roles: | mycotoxin Poisonous substance produced by fungi. breast cancer resistance protein inhibitor Any inhibitor of breast cancer resistance protein (ABCG2). 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) |
| fumitremorgin C (CHEBI:72763) has role breast cancer resistance protein inhibitor (CHEBI:72771) |
| fumitremorgin C (CHEBI:72763) has role mycotoxin (CHEBI:25442) |
| fumitremorgin C (CHEBI:72763) is a aromatic ether (CHEBI:35618) |
| fumitremorgin C (CHEBI:72763) is a indole alkaloid (CHEBI:38958) |
| fumitremorgin C (CHEBI:72763) is a organic heteropentacyclic compound (CHEBI:38164) |
| Incoming Relation(s) |
| 12,13-dihydroxyfumitremorgin C (CHEBI:72764) has functional parent fumitremorgin C (CHEBI:72763) |
| IUPAC Name |
|---|
| (5aS,12S,14aS)-9-methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione |
| Synonym | Source |
|---|---|
| tryptoquivaline | ChEBI |
| UniProt Name | Source |
|---|---|
| fumitremorgin C | UniProt |
| Manual Xrefs | Databases |
|---|---|
| WO2007059330 | Patent |
| HMDB0038642 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4586854 | Reaxys |
| CAS:118974-02-0 | HMDB |
| Citations |
|---|