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CHEBI:66086 - isariotin F

Default Structure
ChEBI IDCHEBI:66086
ChEBI Nameisariotin F
Stars
DefinitionAn organic heterobicyclic compound that is a lactol isolated from the entomopathogenic fungus Isaria tenuipes and exhibits antimalarial and antineoplastic activities.
Last Modified7 March 2018
DownloadsMolfile
FormulaC21H32ClNO5
Net Charge0
Average Mass413.942
Monoisotopic Mass413.19690
SMILES[H][C@@]12O[C@@H](O)[C@@H](NC(=O)/C=C/CCCCCCCCC)C[C@@]1(O)C(=O)C=C[C@H]2Cl
InChIInChI=1S/C21H32ClNO5/c1-2-3-4-5-6-7-8-9-10-11-18(25)23-16-14-21(27)17(24)13-12-15(22)19(21)28-20(16)26/h10-13,15-16,19-20,26-27H,2-9,14H2,1H3,(H,23,25)/b11-10+/t15-,16+,19+,20-,21-/m1/s1
InChIKeyBQBLZAMUHGIEFL-JRVIZFGFSA-N
Species of MetaboliteComponentSourceComments
Isaria tenuipes (ncbitaxon:45847) - PubMed (19265430) Strain: BCC 12625
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.
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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)
isariotin F (CHEBI:66086) has functional parent trans-2-dodecenoic acid (CHEBI:37162)
isariotin F (CHEBI:66086) has role antimalarial (CHEBI:38068)
isariotin F (CHEBI:66086) has role antineoplastic agent (CHEBI:35610)
isariotin F (CHEBI:66086) has role metabolite (CHEBI:25212)
isariotin F (CHEBI:66086) is a enamide (CHEBI:51751)
isariotin F (CHEBI:66086) is a enone (CHEBI:51689)
isariotin F (CHEBI:66086) is a lactol (CHEBI:38131)
isariotin F (CHEBI:66086) is a organic heterobicyclic compound (CHEBI:27171)
isariotin F (CHEBI:66086) is a organochlorine compound (CHEBI:36683)
isariotin F (CHEBI:66086) is a secondary carboxamide (CHEBI:140325)
isariotin F (CHEBI:66086) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(2E)-N-[(2R,3S,4aS,8R,8aR)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromen-3-yl]dodec-2-enamide
Registry NumbersSources
Reaxys:19979530Reaxys
Citations