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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: | 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. 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. |
| 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 |
|---|