2-Hydroxy-1-methylethyl glucosinolate; Benzoyl
AlkaPlorer ID: AK301503
Synonym: 2-(Benzoyloxy)-1-methylethyl glucosinolate, Glucobenzosisymbrin
IUPAC Name: None
Structure
SMILES: CC(COC(=O)C1=CC=CC=C1)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C17H23NO11S2/c1-9(8-27-16(23)10-5-3-2-4-6-10)15(18-29-31(24,25)26)30-17-14(22)13(21)12(20)11(7-19)28-17/h2-6,9,11-14,17,19-22H,7-8H2,1H3,(H,24,25,26)/b18-15+
InChIKey: RMFBQEHMGDGTTH-OBGWFSINSA-N
Reference
CAS: 956699-92-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.50100000000015
TPSA？: 192.41
MolLogP？: -0.8544999999999996
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|