CHEBI:67286 - 7-deacetyl-7-benzoylepoxyazadiradione

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ChEBI Name 7-deacetyl-7-benzoylepoxyazadiradione
ChEBI ID CHEBI:67286
Definition A limonoid that is epoxyazadiradione in which the acetyl group has been replaced by a benzoyl group. 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 C33H36O6
Net Charge 0
Average Mass 528.645
Monoisotopic Mass 528.25119
InChI InChI=1S/C33H36O6/c1-29(2)22-17-24(38-28(36)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)26(35)27-33(31,32)39-27/h6-10,12-14,16,18,21-22,24-25,27H,11,15,17H2,1-5H3/t21-,22+,24-,25-,27-,30-,31+,32+,33-/m1/s1
InChIKey NHRKCWIDMHBOOY-CRMKCTJSSA-N
SMILES [C@]123[C@](C(=O)[C@]([C@@]1(CC[C@@]4([C@]5(C=CC(C([C@@]5(C[C@H]([C@@]24C)OC(=O)C6=CC=CC=C6)[H])(C)C)=O)C)[H])C)(C7=COC=C7)[H])([H])O3
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) has functional parent epoxyazadiradione (CHEBI:67285)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) has role metabolite (CHEBI:25212)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) has role plant metabolite (CHEBI:76924)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a 3-oxo-Δ1 steroid (CHEBI:20156)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a benzoate ester (CHEBI:36054)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a cyclic terpene ketone (CHEBI:36130)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a epoxy steroid (CHEBI:145217)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a furans (CHEBI:24129)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a limonoid (CHEBI:39434)
7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(5α,7α,13α,14β,15β,17α)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate
Registry Number Type Source
6551424 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
29 October 2019