3-Hydroxy-3-methylbutanoic acid; Nitrile, O-β-D-glucopyranoside
AlkaPlorer ID: AK301443
Synonym: Epidermin
IUPAC Name: 3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Structure
SMILES: CC(C)(CC#N)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3
InChIKey: GDSYPXWUHMRTHT-UHFFFAOYSA-N
Reference
Cyanoglucosides in the epidermis of Hordeum vulgare
PubChem CID: 14559840
LOTUS: LTS0076191
COCONUT: CNP0245121.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodotypos scandens | Rhodotypos | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 261.274
TPSA？: 123.17000000000002
MolLogP？: -1.5048200000000007
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|