Zierin
AlkaPlorer ID: AK019364
Synonym: 'Zierin', 'Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)'
IUPAC Name: (2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(O)=CC=C1
InChI: InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKey: KCVXNPDAHDGXFD-GMDXDWKASA-N
Reference
Potential allelochemicals from Sambucus nigra
PubChem CID: 92323
CAS: 41753-54-2
LOTUS: LTS0234225
SuperNatural Ⅲ: SN0182142-04
NPASS: NPC238413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus nigra | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.29
TPSA？: 143.4
MolLogP？: -1.2266200000000005
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|