CHEBI:67304 - nimbin

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ChEBI Name nimbin
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H36O9
Net Charge 0
Average Mass 540.60140
Monoisotopic Mass 540.23593
InChI InChI=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
SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@H](OC(C)=O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). Defatted MeOH extract of seeds See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
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ChEBI Ontology
Outgoing 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 6-deacetylnimbin (CHEBI:67305) has functional parent nimbin (CHEBI:67304)
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 ester ChemIDplus
Manual Xrefs Databases
97160 ChemSpider
C00053555 KNApSAcK
CN101473849 Patent
CN101513194 Patent
CN1561729 Patent
CN1561730 Patent
CN1561734 Patent
CN1596646 Patent
Nimbin_(chemical) Wikipedia
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Registry Numbers Types Sources
5945-86-8 CAS Registry Number ChemIDplus
73275 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12193026 PubMed citation Europe PMC
19475987 PubMed citation Europe PMC
20681641 PubMed citation Europe PMC
21381696 PubMed citation Europe PMC
24075352 PubMed citation Europe PMC
32315747 PubMed citation Europe PMC
Last Modified
23 November 2020