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CHEBI:67292 - desfuranoazadiradione

Default Structure
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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