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CHEBI:67296 - 7-deacetylgedunin
| Formula | C26H32O6 |
| Net Charge | 0 |
| Average Mass | 440.536 |
| Monoisotopic Mass | 440.21989 |
| SMILES | [H][C@]12CC[C@]3(C)[C@@]4(O[C@]4([H])C(=O)O[C@@]3([H])c3ccoc3)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C |
| InChI | InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1 |
| InChIKey | HCEYJYMNIQHPPK-DXTZDJJUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Azadirachta indica (ncbitaxon:124943) | seed (BTO:0001226) | PubMed (21381696) | Defatted MeOH extract of seeds |
| Roles Classification |
|---|
| Biological Roles: | 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. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| Applications: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-deacetylgedunin (CHEBI:67296) has functional parent gedunin (CHEBI:65954) |
| 7-deacetylgedunin (CHEBI:67296) has role anti-inflammatory agent (CHEBI:67079) |
| 7-deacetylgedunin (CHEBI:67296) has role antimalarial (CHEBI:38068) |
| 7-deacetylgedunin (CHEBI:67296) has role metabolite (CHEBI:25212) |
| 7-deacetylgedunin (CHEBI:67296) has role plant metabolite (CHEBI:76924) |
| 7-deacetylgedunin (CHEBI:67296) is a cyclic terpene ketone (CHEBI:36130) |
| 7-deacetylgedunin (CHEBI:67296) is a enone (CHEBI:51689) |
| 7-deacetylgedunin (CHEBI:67296) is a epoxide (CHEBI:32955) |
| 7-deacetylgedunin (CHEBI:67296) is a furans (CHEBI:24129) |
| 7-deacetylgedunin (CHEBI:67296) is a limonoid (CHEBI:39434) |
| 7-deacetylgedunin (CHEBI:67296) is a pentacyclic triterpenoid (CHEBI:25872) |
| 7-deacetylgedunin (CHEBI:67296) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione |
| Synonyms | Source |
|---|---|
| (5α,7α,13α,14β,15β,17aα)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione | ChemIDplus |
| 7-deacetoxy-7α-hydroxygedunin | ChEBI |
| deacetylgedunin | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5838176 | Reaxys |
| CAS:10314-90-6 | ChemIDplus |
| Citations |
|---|