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CHEBI:65562 - callophycoic acid F
| Formula | C27H36O3 |
| Net Charge | 0 |
| Average Mass | 408.582 |
| Monoisotopic Mass | 408.26645 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCc2cc(C(=O)O)ccc2OC1 |
| InChI | InChI=1S/C27H36O3/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-7-13-23-14-15-24-18-25(27(28)29)16-17-26(24)30-19-23/h8,10,12,14,16-18H,5-7,9,11,13,15,19H2,1-4H3,(H,28,29)/b21-10+,22-12+ |
| InChIKey | URXNJUNXUWLMAY-KZVLYIKRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Callophycus serratus (ncbitaxon:632897) | - | PubMed (17715978) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| callophycoic acid F (CHEBI:65562) has role antibacterial agent (CHEBI:33282) |
| callophycoic acid F (CHEBI:65562) has role antimalarial (CHEBI:38068) |
| callophycoic acid F (CHEBI:65562) has role antineoplastic agent (CHEBI:35610) |
| callophycoic acid F (CHEBI:65562) has role metabolite (CHEBI:25212) |
| callophycoic acid F (CHEBI:65562) is a benzoic acids (CHEBI:22723) |
| callophycoic acid F (CHEBI:65562) is a cyclic ether (CHEBI:37407) |
| callophycoic acid F (CHEBI:65562) is a diterpenoid (CHEBI:23849) |
| callophycoic acid F (CHEBI:65562) is a organic heterobicyclic compound (CHEBI:27171) |
| IUPAC Name |
|---|
| 3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5-dihydro-1-benzoxepine-7-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 23076458 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11167776 | Reaxys |
| Citations |
|---|