Products 81861-72-5
CAS 81861-72-5 is the registry number for Acalyphin. Offered by: MedChemExpress. Available pack sizes: Get quote.
Acalyphin is a member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has a role as a plant metabolite. It is a beta-D-glucoside, a tetrahydropyridine, an enol ether, a delta-lactam and an aliphatic nitrile.
Source: ChEBI
| Molecular formula | C14H20N2O9 |
|---|---|
| Molecular weight | 360.32 g/mol |
| IUPAC name | (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyridine-3-carbonitrile |
| InChIKey | QZRKNNXRNBTODR-JKTRLFLGSA-N |
| SMILES | CN1[C@H]([C@](C(=CC1=O)OC)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
ACALYPHIN, orb1698783