acalyphin
AlkaPlorer ID: AK014759
Synonym: 'Acalyphin', '', 'epiacalyphin', '3-(beta-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile', 'acalyphin'
IUPAC Name: (2R,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
Structure
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-YQALUOGVSA-N
Reference
Acalyphin, a cyanogenic glucoside from Acalypha indica
PubChem CID: 102286666
LOTUS: LTS0110476
SuperNatural Ⅲ: SN0319551-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acalypha indica | Acalypha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.319
TPSA？: 172.94
MolLogP？: -3.614019999999999
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|