8-(Methylthio)octyl glucosinolate; S,S-Dioxide
AlkaPlorer ID: AK306365
Synonym: 8-(Methylsulfonyl)octyl glucosinolate
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-9-methylsulfonyl-N-sulfooxynonanimidothioate
Structure
SMILES: CS(=O)(=O)CCCCCCCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C16H31NO11S3/c1-30(22,23)9-7-5-3-2-4-6-8-12(17-28-31(24,25)26)29-16-15(21)14(20)13(19)11(10-18)27-16/h11,13-16,18-21H,2-10H2,1H3,(H,24,25,26)/b17-12+
InChIKey: OZKVQSNRAFPWMK-SFQUDFHCSA-N
Reference
CAS: 192580-86-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliophila amplexicaulis | Heliophila | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sinapis arvensis | Sinapis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.6210000000001
TPSA？: 200.25
MolLogP？: -0.5722999999999978
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|