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CHEBI:67292 - desfuranoazadiradione

ChEBI IDCHEBI:67292
ChEBI Namedesfuranoazadiradione
Stars
DefinitionA limonoid that is azadiradione in which the furanyl group at position 17 is replaced by a hydrogen. It has been isolated from Azadirachta indica.
Last Modified18 November 2013
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILES[H][C@]12CC[C@@]3(C)CC(=O)C=C3[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C
InChIInChI=1S/C24H32O4/c1-14(25)28-20-12-17-21(2,3)19(27)8-10-23(17,5)16-7-9-22(4)13-15(26)11-18(22)24(16,20)6/h8,10-11,16-17,20H,7,9,12-13H2,1-6H3/t16-,17+,20-,22+,23-,24-/m1/s1
InChIKeyRACYWTTYSJTPOV-TUJRATNISA-N
Species of MetaboliteComponentSourceComments
Azadirachta indica (ncbitaxon:124943) seed (BTO:0001226) PubMed (21381696) Defatted MeOH extract of seeds
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
desfuranoazadiradione (CHEBI:67292) has functional parent azadiradione (CHEBI:67280)
desfuranoazadiradione (CHEBI:67292) has role metabolite (CHEBI:25212)
desfuranoazadiradione (CHEBI:67292) has role plant metabolite (CHEBI:76924)
desfuranoazadiradione (CHEBI:67292) is a acetate ester (CHEBI:47622)
desfuranoazadiradione (CHEBI:67292) is a cyclic terpene ketone (CHEBI:36130)
desfuranoazadiradione (CHEBI:67292) is a limonoid (CHEBI:39434)
desfuranoazadiradione (CHEBI:67292) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(5α,7α,13α)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate
Registry NumbersSources
Reaxys:5833387Reaxys
Citations