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CHEBI:67285 - epoxyazadiradione
| Formula | C28H34O6 |
| Net Charge | 0 |
| Average Mass | 466.574 |
| Monoisotopic Mass | 466.23554 |
| SMILES | [H][C@]12CC[C@]3(C)[C@@]4(O[C@]4([H])C(=O)[C@@]3([H])c3ccoc3)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C |
| InChI | InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1 |
| InChIKey | NEYCGDYQBQONFC-GGPFZBFUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| epoxyazadiradione (CHEBI:67285) has functional parent azadiradione (CHEBI:67280) |
| epoxyazadiradione (CHEBI:67285) has role anti-inflammatory agent (CHEBI:67079) |
| epoxyazadiradione (CHEBI:67285) has role insecticide (CHEBI:24852) |
| epoxyazadiradione (CHEBI:67285) has role plant metabolite (CHEBI:76924) |
| epoxyazadiradione (CHEBI:67285) is a acetate ester (CHEBI:47622) |
| epoxyazadiradione (CHEBI:67285) is a cyclic terpene ketone (CHEBI:36130) |
| epoxyazadiradione (CHEBI:67285) is a epoxide (CHEBI:32955) |
| epoxyazadiradione (CHEBI:67285) is a furans (CHEBI:24129) |
| epoxyazadiradione (CHEBI:67285) is a limonoid (CHEBI:39434) |
| epoxyazadiradione (CHEBI:67285) is a pentacyclic triterpenoid (CHEBI:25872) |
| Incoming Relation(s) |
| 7-deacetyl-7-benzoylepoxyazadiradione (CHEBI:67286) has functional parent epoxyazadiradione (CHEBI:67285) |
| 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 acetate |
| Synonym | Source |
|---|---|
| nimbinin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4610557 | Reaxys |
| CAS:18385-59-6 | ChemIDplus |
| Citations |
|---|