3-Hydroxy-6-(methylthio)hexyl glucosinolate; S-Oxide
AlkaPlorer ID: AK301596
Synonym: 3-Hydroxy-6-(methylsulfinyl)hexyl glucosinolate
IUPAC Name: None
Structure
SMILES: CS(=O)CCCC(O)CC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C14H27NO11S3/c1-28(21)6-2-3-8(17)4-5-10(15-26-29(22,23)24)27-14-13(20)12(19)11(18)9(7-16)25-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,22,23,24)/b15-10+
InChIKey: IKQHPOZBQMEURD-XNTDXEJSSA-N
Reference
CAS: 956699-95-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.5670000000001
TPSA？: 203.41
MolLogP？: -2.0477999999999965
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|