Chemical Property of 4-Methoxyglucobrassicin
Chemical Property:
- PKA:12.81±0.70(Predicted)
- PSA：224.81000
- Density:1.77g/cm3
- LogP:0.46580
- XLogP3:-0.1
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:8
- Exact Mass:478.07158725
- Heavy Atom Count:31
- Complexity:733
- Purity/Quality:
-
99% *data from raw suppliers
4-Methoxyglucobrassicin *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES:COC1=CC=CC2=C1C(=CN2)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
-
Uses
4-Methoxyglucobrassicin is a naturally occurring substance found in broccoli and was shown to inhibit viability of human bladder cancer cell and reduce tumor within xenografted mouse model.
