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CHEBI:67304 - nimbin

ChEBI IDCHEBI:67304
ChEBI Namenimbin
Stars
DefinitionA limonoid found in Azadirachta indica.
Last Modified23 November 2020
DownloadsMolfile
FormulaC30H36O9
Net Charge0
Average Mass540.609
Monoisotopic Mass540.23593
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]3([H])O[C@]4([H])C[C@@H](c5ccoc5)C(C)=C4[C@@]3(C)[C@H](CC(=O)OC)[C@@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC
InChIInChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
InChIKeyNHOIBRJOQAYBJT-IMGVWCFESA-N
Wikipedia
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.
Application:
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
nimbin (CHEBI:67304) has role pesticide (CHEBI:25944)
nimbin (CHEBI:67304) has role plant metabolite (CHEBI:76924)
nimbin (CHEBI:67304) is a acetate ester (CHEBI:47622)
nimbin (CHEBI:67304) is a cyclic terpene ketone (CHEBI:36130)
nimbin (CHEBI:67304) is a enone (CHEBI:51689)
nimbin (CHEBI:67304) is a furans (CHEBI:24129)
nimbin (CHEBI:67304) is a limonoid (CHEBI:39434)
nimbin (CHEBI:67304) is a methyl ester (CHEBI:25248)
nimbin (CHEBI:67304) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming Relation(s)
6-deacetylnimbin (CHEBI:67305) has functional parent nimbin (CHEBI:67304)
IUPAC Name 
methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-(acetyloxy)-2-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate
Synonym  Source
(4α,5α,6α,7α,15β,17α)-6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-8,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid methyl esterChemIDplus
Manual XrefsDatabases
97160ChemSpider
C00053555KNApSAcK
CN101473849Patent
CN101513194Patent
CN1561729Patent
CN1561730Patent
CN1561734Patent
CN1596646Patent
Nimbin_(chemical)Wikipedia
Registry NumbersSources
Reaxys:73275Reaxys
CAS:5945-86-8ChemIDplus
Citations