Table 4.
In silico toxicological properties of the Ehretia species phytoconstituents.
| ID | Ligands | hERG blocker | Mutagenicity | Tumorigenicity | Reproductive effect | Human hepatotoxicity |
|---|---|---|---|---|---|---|
| Requirements | 0 ~ 0.3 | 0 ~ 0.3 | ||||
| DB01 | Buddlenol B | 0.15 | None | None | None | 0.293 |
| DB05 | Ehletianol A | 0.101 | None | None | None | 0.016 |
| DB06 | Ehletianol B | 0.062 | None | None | None | 0.011 |
| DB07 | Ehletianol D | 0.104 | Low | High | None | 0.318 |
| DB09 | Caffeic anhydride | 0.007 | None | None | None | 0.242 |
| DB10 | Icariside E5 | 0.071 | None | None | None | 0.404 |
| DB11 | Lithospermic acid B | 0.025 | None | None | None | 0.381 |
| DB12 | Methyl rosmarinate | 0.032 | None | None | None | 0.227 |
| DB16 | Hyperoside | 0.017 | None | None | None | 0.144 |
| DB19 | Quercetin | 0.099 | High | High | None | 0.1 |
| DB28 | Ehretioside B | 0.009 | None | None | None | 0.082 |
| DB63 | Rutin | 0.017 | None | None | None | 0.092 |
| DB64 | Lucenin 2 | 0.035 | High | High | Low | 0.147 |
| DB66 | Riboflavin | 0.029 | None | None | None | 0.118 |
hERG: human Ether-à-go-go-Related Gene.