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CHEBI:65580 - caribenol A
| Formula | C19H26O3 |
| Net Charge | 0 |
| Average Mass | 302.414 |
| Monoisotopic Mass | 302.18819 |
| SMILES | [H][C@]12CC[C@H](C)C3=C1[C@@](O)(OC3=O)[C@@]1(C)CC(C)=C[C@@]1([H])C[C@@H]2C |
| InChI | InChI=1S/C19H26O3/c1-10-7-13-8-12(3)14-6-5-11(2)15-16(14)19(21,22-17(15)20)18(13,4)9-10/h7,11-14,21H,5-6,8-9H2,1-4H3/t11-,12-,13-,14+,18-,19+/m0/s1 |
| InChIKey | JHCPXISTONUFKB-UUBMZHIOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudopterogorgia elisabethae (ncbitaxon:204377) | - | PubMed (17715964) |
| 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. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| Applications: | antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| caribenol A (CHEBI:65580) has role antimalarial (CHEBI:38068) |
| caribenol A (CHEBI:65580) has role antitubercular agent (CHEBI:33231) |
| caribenol A (CHEBI:65580) has role metabolite (CHEBI:25212) |
| caribenol A (CHEBI:65580) is a organic heterotetracyclic compound (CHEBI:38163) |
| caribenol A (CHEBI:65580) is a terpene lactone (CHEBI:37668) |
| caribenol A (CHEBI:65580) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| (3S,5aR,6S,7aR,10aS,10bS)-10b-hydroxy-3,6,9,10a-tetramethyl-3,4,5,5a,6,7,7a,10,10a,10b-decahydro-2H-1-oxabenzo[cd]cyclopenta[h]azulen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 21194015 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11167804 | Reaxys |
| Citations |
|---|