CHEBI:67282 - 7-benzoylnimbocinol

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ChEBI Name 7-benzoylnimbocinol
ChEBI ID CHEBI:67282
Definition A limonoid that is the benzoate ester of nimbocinol. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H36O5
Net Charge 0
Average Mass 512.63590
Monoisotopic Mass 512.25627
InChI InChI=1S/C33H36O5/c1-30(2)24-18-27(38-29(36)20-9-7-6-8-10-20)33(5)23(31(24,3)15-12-26(30)35)11-14-32(4)25(33)17-22(34)28(32)21-13-16-37-19-21/h6-10,12-13,15-17,19,23-24,27-28H,11,14,18H2,1-5H3/t23-,24+,27-,28-,31-,32-,33-/m1/s1
InChIKey BNCQITGVZDTXDN-RCNGYQEYSA-N
SMILES C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-benzoylnimbocinol (CHEBI:67282) has functional parent nimbocinol (CHEBI:67281)
7-benzoylnimbocinol (CHEBI:67282) has role plant metabolite (CHEBI:76924)
7-benzoylnimbocinol (CHEBI:67282) is a benzoate ester (CHEBI:36054)
7-benzoylnimbocinol (CHEBI:67282) is a cyclic terpene ketone (CHEBI:36130)
7-benzoylnimbocinol (CHEBI:67282) is a furans (CHEBI:24129)
7-benzoylnimbocinol (CHEBI:67282) is a limonoid (CHEBI:39434)
7-benzoylnimbocinol (CHEBI:67282) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(5α,7α,13α,17α)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl benzoate
Synonym Source
7-desacetyl-7-benzoylazadiradione ChEBI
Registry Number Type Source
6549952 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
09 January 2014