glucocheirolin
AlkaPlorer ID: AK021079
Synonym: '3-(Methylsufonyl)propyl glucosinolate', '3-Methylsufonylpropyl glucosinolate', '4-methylsulfonylbutylglucosinolate', '3-(Methylsulfonyl)propylglucosinolate potassium salt', 'Glucocheirolin'
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-methylsulfonyl-N-sulfooxybutanimidothioate
Structure
SMILES: CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+/t6-,8-,9+,10+,11+/m0/s1
InChIKey: OFKKQTQFWWIRBD-FWNUKXHESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum cuspidatum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.4860000000001
TPSA？: 200.25
MolLogP？: -2.522799999999997
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|