1-[(Hydroxymethyl)propyl] glucosinolate
AlkaPlorer ID: AK301564
Synonym: 1-Thio-β-D-glucopyranose 1-[2-(hydroxymethyl)-N-(sulfooxy)butanimidate], Glucosisaustricin
IUPAC Name: None
Structure
SMILES: CCC(CO)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H21NO10S2/c1-2-5(3-13)10(12-22-24(18,19)20)23-11-9(17)8(16)7(15)6(4-14)21-11/h5-9,11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-10+
InChIKey: MHOJGJYNQDZGAQ-ZRDIBKRKSA-N
Reference
CAS: 74542-15-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.4200000000001
TPSA？: 186.34
MolLogP？: -2.3290999999999973
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|