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CHEBI:67298 - nimolicinol

ChEBI IDCHEBI:67298
ChEBI Namenimolicinol
Stars
DefinitionA limonoid found in Azadirachta indica.
Last Modified9 January 2014
DownloadsMolfile
FormulaC28H34O7
Net Charge0
Average Mass482.573
Monoisotopic Mass482.23045
SMILES[H][C@]12CC[C@]3(C)C(=CC(=O)O[C@]3(O)c3ccoc3)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C
InChIInChI=1S/C28H34O7/c1-16(29)34-22-13-19-24(2,3)21(30)8-10-25(19,4)18-7-11-26(5)20(27(18,22)6)14-23(31)35-28(26,32)17-9-12-33-15-17/h8-10,12,14-15,18-19,22,32H,7,11,13H2,1-6H3/t18-,19+,22-,25-,26-,27-,28-/m1/s1
InChIKeyVXKRRVRNHBWLTO-VBPYNQNZSA-N
Species of MetaboliteComponentSourceComments
Azadirachta indica (ncbitaxon:124943) seed (BTO:0001226) PubMed (21381696) Defatted MeOH extract of seeds
Roles Classification
Biological Role:
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)
nimolicinol (CHEBI:67298) has role plant metabolite (CHEBI:76924)
nimolicinol (CHEBI:67298) is a acetate ester (CHEBI:47622)
nimolicinol (CHEBI:67298) is a cyclic terpene ketone (CHEBI:36130)
nimolicinol (CHEBI:67298) is a enone (CHEBI:51689)
nimolicinol (CHEBI:67298) is a furans (CHEBI:24129)
nimolicinol (CHEBI:67298) is a limonoid (CHEBI:39434)
nimolicinol (CHEBI:67298) is a tertiary alcohol (CHEBI:26878)
nimolicinol (CHEBI:67298) is a tetracyclic triterpenoid (CHEBI:26893)
nimolicinol (CHEBI:67298) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate
Registry NumbersSources
Reaxys:9235734Reaxys
Citations