(2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-{[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}-2H-pyridine-3-carbonitrile
AlkaPlorer ID: AK072525
Synonym: None
IUPAC Name: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-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](O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C13H18N2O9/c1-15-6(16)3-5(22-2)13(4-14,12(15)21)24-11-9(19)7(17)8(18)10(20)23-11/h3,7-12,17-21H,1-2H3/t7-,8-,9+,10-,11-,12-,13+/m0/s1
InChIKey: JNOBKBGUTMPMPS-SMFJDMQNSA-N
Reference
Cyanogenic and non-cyanogenic pyridone glucosides from Acalypha indica (Euphorbiaceae)
PubChem CID: 163010766
LOTUS: LTS0217236
SuperNatural Ⅲ: SN0170231-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acalypha indica | Acalypha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 346.29200000000003
TPSA？: 172.94
MolLogP？: -3.656519999999999
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|