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CHEBI:65900 - fleephilone

Default Structure
ChEBI IDCHEBI:65900
ChEBI Namefleephilone
Stars
DefinitionA organic heterotetracyclic compound isolated from the fermentation broth of Trichoderma harzianum and exhibits anti-HIV activity.
Last Modified25 January 2013
DownloadsMolfile
FormulaC24H27NO7
Net Charge0
Average Mass441.480
Monoisotopic Mass441.17875
SMILES[H][C@]12OC(/C=C/C=C/C)=C3C4=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C4=CN(CC[C@@H]1O)[C@]32[H]
InChIInChI=1S/C24H27NO7/c1-4-5-6-7-17-20-14-11-18(28)24(3,32-19(29)10-13(2)26)23(30)15(14)12-25-9-8-16(27)22(31-17)21(20)25/h4-7,11-13,16,21-22,26-27H,8-10H2,1-3H3/b5-4+,7-6+/t13?,16-,21+,22-,24?/m0/s1
InChIKeyUOPRBHLVKJBASE-XVSBCJMYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (8968392)
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.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
fleephilone (CHEBI:65900) has functional parent 3-hydroxybutyric acid (CHEBI:20067)
fleephilone (CHEBI:65900) has role anti-HIV agent (CHEBI:64946)
fleephilone (CHEBI:65900) has role metabolite (CHEBI:25212)
fleephilone (CHEBI:65900) is a carboxylic ester (CHEBI:33308)
fleephilone (CHEBI:65900) is a cyclic ether (CHEBI:37407)
fleephilone (CHEBI:65900) is a enone (CHEBI:51689)
fleephilone (CHEBI:65900) is a organic heterotetracyclic compound (CHEBI:38163)
fleephilone (CHEBI:65900) is a organonitrogen heterocyclic compound (CHEBI:38101)
fleephilone (CHEBI:65900) is a secondary alcohol (CHEBI:35681)
fleephilone (CHEBI:65900) is a β-diketone (CHEBI:67265)
IUPAC Name 
(2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-[(1E,3E)-penta-1,3-dien-1-yl]-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoate
Registry NumbersSources
CAS:183239-76-1ChemIDplus
Citations