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CHEBI:67299 - 7-deacetyl-17-epinimolicinol
| Formula | C26H32O6 |
| Net Charge | 0 |
| Average Mass | 440.536 |
| Monoisotopic Mass | 440.21989 |
| SMILES | [H][C@]12CC[C@]3(C)C(=CC(=O)O[C@@]3(O)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)17-12-20(28)25(5)16(23(17,3)9-7-19(22)27)6-10-24(4)18(25)13-21(29)32-26(24,30)15-8-11-31-14-15/h7-9,11,13-14,16-17,20,28,30H,6,10,12H2,1-5H3/t16-,17+,20-,23-,24-,25-,26+/m1/s1 |
| InChIKey | KBHQRXUIHKRZTP-GRSHXKAVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Azadirachta indica (ncbitaxon:124943) | seed (BTO:0001226) | PubMed (21381696) | n-Hexane 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) has role metabolite (CHEBI:25212) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) has role plant metabolite (CHEBI:76924) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a cyclic terpene ketone (CHEBI:36130) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a enone (CHEBI:51689) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a furans (CHEBI:24129) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a limonoid (CHEBI:39434) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a secondary alcohol (CHEBI:35681) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a tertiary alcohol (CHEBI:26878) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a tetracyclic triterpenoid (CHEBI:26893) |
| 7-deacetyl-17-epinimolicinol (CHEBI:67299) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1,5-dihydroxy-4b,7,7,10a,12a-pentamethyl-5,6,6a,10a,10b,11,12,12a-octahydro-1H-naphtho[2,1-f]isochromene-3,8(4bH,7H)-dione |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21448573 | Reaxys |
| CAS:1281766-59-3 | Reaxys |
| Citations |
|---|