4-(Methylthio)butyl glucosinolate; 6'-Benzoyl
AlkaPlorer ID: AK306345
Synonym: 6'-O-Benzoylglucoerucin
IUPAC Name: None
Structure
SMILES: CSCCCC/C(=N\OS(=O)(=O)O)SC1OC(COC(=O)C2=CC=CC=C2)C(O)C(O)C1O
InChI: InChI=1S/C19H27NO10S3/c1-31-10-6-5-9-14(20-30-33(25,26)27)32-19-17(23)16(22)15(21)13(29-19)11-28-18(24)12-7-3-2-4-8-12/h2-4,7-8,13,15-17,19,21-23H,5-6,9-11H2,1H3,(H,25,26,27)/b20-14+
InChIKey: XQBIVNCAKBVHAM-XSFVSMFZSA-N
Reference
CAS: 443334-51-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arabidopsis thaliana | Arabidopsis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 525.6230000000003
TPSA？: 172.17999999999998
MolLogP？: 1.0504
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|