seco-acalyphin
AlkaPlorer ID: AK172284
Synonym: None
IUPAC Name: (Z)-4-cyano-3-methoxy-N-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enamide
Structure
SMILES: CN=C(O)C/C(OC)=C(\C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C13H20N2O8/c1-15-9(17)3-6(21-2)7(4-14)22-13-12(20)11(19)10(18)8(5-16)23-13/h8,10-13,16,18-20H,3,5H2,1-2H3,(H,15,17)/b7-6-/t8-,10-,11+,12-,13-/m1/s1
InChIKey: BASCBPSXFTXREB-COIISXCISA-N
Reference
Cyanogenic and non-cyanogenic pyridone glucosides from Acalypha indica (Euphorbiaceae)
PubChem CID: 102286670
LOTUS: LTS0182891
SuperNatural Ⅲ: SN0020482-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acalypha indica | Acalypha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 332.309
TPSA？: 164.99
MolLogP？: -1.8391199999999992
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|