Table 4.
PASS prediction (bioactivity and toxicity) analysis of chalepensin (10) and 6-hydroxy-rutin 3′,7-dimethyl ether (16).
| Bioactivities | Pa (Probability to be Active) | Pi (Probability to be Inactive) | ||
|---|---|---|---|---|
| 10 | 16 | 10 | 16 | |
| Membrane integrity agonist | 0.954 | 0.973 | 0.003 | 0.002 |
| Ubiquinol-cytochrome-c reductase inhibitor | 0.863 | − | 0.013 | − |
| Fatty-acyl-CoA synthase inhibitor | 0.822 | − | 0.004 | − |
| Membrane permeability inhibitor | 0.809 | 0.962 | 0.009 | 0.002 |
| Free radical scavenger/antioxidant | 0.627 | 0.878 | 0.005 | 0.003 |
| Alcohol dehydrogenase (NADP+) inhibitor | − | 0.927 | − | 0.002 |
| Xenobiotic-transporting ATPase inhibitor | − | 0.886 | − | 0.002 |
| Lipid peroxidase inhibitor | − | 0.813 | − | 0.003 |
| Anticarcinogenic | − | 0.716 | − | 0.007 |
| Toxicity/adverse reactions | Compound 10: itchiness and eye irritation acidosis | Compound 16: metabolic acidosis | ||