1-[(Hydroxymethyl)propyl] glucosinolate; O-Benzoyl
AlkaPlorer ID: AK301565
Synonym: 1-[(Benzoyloxymethyl)propyl] glucosinolate, Glucobenzsisaustricin
IUPAC Name: None
Structure
SMILES: CCC(COC(=O)C1=CC=CC=C1)/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C18H25NO11S2/c1-2-10(9-28-17(24)11-6-4-3-5-7-11)16(19-30-32(25,26)27)31-18-15(23)14(22)13(21)12(8-20)29-18/h3-7,10,12-15,18,20-23H,2,8-9H2,1H3,(H,25,26,27)/b19-16+
InChIKey: SOSNSVMIXHJRHT-KNTRCKAVSA-N
Reference
CAS: 956699-90-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 495.5280000000002
TPSA？: 192.41
MolLogP？: -0.4644
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|