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CHEBI:2372 - acalyphin
| Formula | C14H20N2O9 |
| Net Charge | 0 |
| Average Mass | 360.319 |
| Monoisotopic Mass | 360.11688 |
| SMILES | COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1 |
| InChIKey | QZRKNNXRNBTODR-JKTRLFLGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acalypha indica (ncbitaxon:478095) | - | PubMed (19157466) |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acalyphin (CHEBI:2372) has role plant metabolite (CHEBI:76924) |
| acalyphin (CHEBI:2372) is a aliphatic nitrile (CHEBI:80291) |
| acalyphin (CHEBI:2372) is a enol ether (CHEBI:47985) |
| acalyphin (CHEBI:2372) is a tetrahydropyridine (CHEBI:26921) |
| acalyphin (CHEBI:2372) is a β-D-glucoside (CHEBI:22798) |
| acalyphin (CHEBI:2372) is a δ-lactam (CHEBI:77727) |
| IUPAC Name |
|---|
| 3-(β-D-glucopyranosyloxy)-2-hydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile |
| Synonyms | Source |
|---|---|
| Acalyphin | KEGG COMPOUND |
| 3-(beta-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile | ChemIDplus |
| Citations |
|---|