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CHEBI:68736 - chaetoglobosin Q
| Formula | C32H38N2O6 |
| Net Charge | 0 |
| Average Mass | 546.664 |
| Monoisotopic Mass | 546.27299 |
| SMILES | [H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@H](O)[C@](C)(O)[C@H]2C |
| InChI | InChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37-38,40H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1 |
| InChIKey | GXXPQGPTEVHUTJ-VOXRAUTJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium globosum (ncbitaxon:38033) | - | PubMed (15497948) |
| Roles Classification |
|---|
| Biological Roles: | Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chaetoglobosin Q (CHEBI:68736) has role Chaetomium metabolite (CHEBI:76960) |
| chaetoglobosin Q (CHEBI:68736) has role antineoplastic agent (CHEBI:35610) |
| chaetoglobosin Q (CHEBI:68736) is a cytochalasan alkaloid (CHEBI:75946) |
| chaetoglobosin Q (CHEBI:68736) is a indoles (CHEBI:24828) |
| chaetoglobosin Q (CHEBI:68736) is a macrocycle (CHEBI:51026) |
| chaetoglobosin Q (CHEBI:68736) is a secondary α-hydroxy ketone (CHEBI:2468) |
| IUPAC Name |
|---|
| (3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione |
| Manual Xrefs | Databases |
|---|---|
| 9436334 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10509031 | Reaxys |
| Citations |
|---|