glucohesperin
AlkaPlorer ID: AK017975
Synonym: 'Glucohesperalin potassium salt', 'glucohesperin', 'methylsulfinylhexylglucosinolate', 'methylsulfinylhexyl-glucosinolate', 'glucoalissin', '6-Methylsulfinylhexylglucosinolate potassium salt', 'Glucoalissin potassium salt', '6-Methylsulfinylhexyl glucosinolate', 'Glucohesperalin', 'Glucohesperin'
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-[(R)-methylsulfinyl]-N-sulfooxyheptanimidothioate
Structure
SMILES: C[S@@](=O)CCCCCC/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/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+,27-/m1/s1
InChIKey: OOGAQHVYHLPICD-ZHOAWAJGSA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 154497805
LOTUS: LTS0081544
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5680000000001
TPSA？: 183.18
MolLogP？: -1.0185999999999982
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|