2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
AlkaPlorer ID: AK219358
Synonym: None
IUPAC Name: 2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
Structure
SMILES: CC(C)(C#N)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C10H17NO5/c1-10(2,4-11)9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9-/m1/s1
InChIKey: CRTWQTRFSBJGLK-SYHAXYEDSA-N
Reference
Linamarin, lotaustralin, linustatin and neolinustatin from Passiflora species
PubChem CID: 101042316
LOTUS: LTS0179079
SuperNatural Ⅲ: SN0053845-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Passiflora morifolia | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 231.248
TPSA？: 113.94
MolLogP？: -1.6214200000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|