CHEBI:66086 - isariotin F

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isariotin F
ChEBI ID CHEBI:66086
Definition An organic heterobicyclic compound that is a lactol isolated from the entomopathogenic fungus Isaria tenuipes and exhibits antimalarial and antineoplastic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H32ClNO5
Net Charge 0
Average Mass 413.93500
Monoisotopic Mass 413.19690
InChI InChI=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
InChIKey BQBLZAMUHGIEFL-JRVIZFGFSA-N
SMILES [H][C@@]12O[C@@H](O)[C@H](C[C@@]1(O)C(=O)C=C[C@H]2Cl)NC(=O)\C=C\CCCCCCCCC
Metabolite of Species Details
Isaria tenuipes (NCBI:txid45847) of strain BCC 12625 See: PubMed
Roles Classification
Biological Role(s): 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
19979530 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19265430 PubMed citation Europe PMC
19921667 PubMed citation Europe PMC
Last Modified
07 March 2018