2-Hydroxy-1-methylethyl glucosinolate
AlkaPlorer ID: AK301502
Synonym: 1-Thio-β-D-glucopyranose 1-[3-hydroxy-2-methyl-N-(sulfooxy)propanimidate], Glucosisymbrin
IUPAC Name: None
Structure
SMILES: CC(CO)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-9+
InChIKey: WMJAKSMGNADDKY-PKNBQFBNSA-N
Reference
CAS: 30688-62-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.3930000000001
TPSA？: 186.34
MolLogP？: -2.7191999999999985
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|