glucolesquerellin
AlkaPlorer ID: AK021382
Synonym: 'Glucolesquerellin', '6-(Methylthio)hexyl glucosinolate'
IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate
Structure
SMILES: CSCCCCCC/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/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+/t9-,11-,12+,13+,14+/m0/s1
InChIKey: ZAKICGFSIJSCSF-LKQOQWEASA-N
Reference
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
PubChem CID: 154496053
LOTUS: LTS0143952
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dimorphocarpa wislizeni | Dimorphocarpa | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5690000000001
TPSA？: 166.11
MolLogP？: -0.0341000000000003
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|