Isopropyl glucosinolate
AlkaPlorer ID: AK302974
Synonym: 1-Thio-β-D-glucopyranose 1-[N-(sulfooxy)-2-methylpropanimidate], 1-Methylethylglucosinolate, Glucoputranjivin
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-methyl-N-sulfooxypropanimidothioate
Structure
SMILES: CC(C)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/b11-9+
InChIKey: WGIQZGDVCQDPTG-PKNBQFBNSA-N
Reference
CAS: 18432-16-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lunaria annua | Lunaria | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Putranjiva roxburghii | Putranjiva | Putranjivaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cardamine diphylla | Cardamine | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.394
TPSA？: 166.11
MolLogP？: -1.6915999999999995
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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