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CHEBI:66349 - variecolin
| Formula | C25H36O2 |
| Net Charge | 0 |
| Average Mass | 368.561 |
| Monoisotopic Mass | 368.27153 |
| SMILES | [H]C(=O)/C1=C/C[C@]2([H])[C@](C)(CC[C@]3(C)CC[C@H](C(=C)C)[C@]32[H])C[C@@]2([H])[C@@H](C)CC(=O)[C@@]12[H] |
| InChI | InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | XAYQASOMEVLRKN-NOJNFTMQSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus aurantiobrunneus (ncbitaxon:41725) | - | PubMed (11045446) | Species also known as Emericella aurantiobrunnea. |
| Phoma (ncbitaxon:37463) | - | Article (JPN PATENT JP 10045662) | |
| Aspergillus variecolor (ncbitaxon:469282) | - | DOI (10.1021/jo00010a040) | Strain: MF 138 |
| Aspergillus oryzae (ncbitaxon:5062) | - | PubMed (38261827) | |
| Aspergillus japonicus (ncbitaxon:34381) | - | PubMed (27806646) | Strain: CAM231 |
| Aspergillus aculeatus (ncbitaxon:5053) | - | PubMed (29248948) | Strain: KKU-CT2 |
| Roles Classification |
|---|
| Biological Roles: | chemokine receptor 5 antagonist An antogonist that blocks chemokine receptor 5 (CCR5). Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| variecolin (CHEBI:66349) has role Aspergillus metabolite (CHEBI:76956) |
| variecolin (CHEBI:66349) has role chemokine receptor 5 antagonist (CHEBI:63673) |
| variecolin (CHEBI:66349) is a carbotetracyclic compound (CHEBI:177332) |
| variecolin (CHEBI:66349) is a cyclic ketone (CHEBI:3992) |
| variecolin (CHEBI:66349) is a enal (CHEBI:51688) |
| variecolin (CHEBI:66349) is a sesterterpenoid (CHEBI:26660) |
| IUPAC Name |
|---|
| (2aS,5S,5aS,5bS,7E,8aR,11S,11aS,12aR)-2a,11,12a-trimethyl-9-oxo-5-(prop-1-en-2-yl)-1,2,2a,3,4,5,5a,5b,6,8a,9,10,11,11a,12,12a-hexadecahydrocyclopenta[4,5]cycloocta[1,2-e]indene-8-carbaldehyde |
| Synonym | Source |
|---|---|
| (−)-variecolin | KNApSAcK |
| UniProt Name | Source |
|---|---|
| variecolin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00033466 | KNApSAcK |
| Variecolin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:133101-16-3 | KNApSAcK |
| Citations |
|---|