Table 4 Toxicity prediction of the compounds.
Compound | hERG (Pred) | Clinical Tox (Pred) | DILI (Pred) | Carcinogenicity (Pred) | LD50 (log(1/mol/kg)) | Skin Reaction (Pred) |
---|---|---|---|---|---|---|
Myricetin 3-rhamnoside | 0.47 | 0.28 | 0.93 | 0.11 | 3.38 | 0.37 |
Quercetin | 0.45 | 0.03 | 0.93 | 0.03 | 2.51 | 0.89 |
Protocatechuic acid | 0.01 | 0.05 | 0.59 | 0.11 | 1.72 | 0.6 |
Caffeic acid | 0.01 | 0.1 | 0.63 | 0.07 | 1.86 | 0.61 |
Carpaine | 0.57 | 0.2 | 0.26 | 0.08 | 2.15 | 0.71 |
2-methoxy-4-vinylphenol | 0.11 | 0.0021 | 0.36 | 0.03 | 1.99 | 0.77 |
Equisetin | 0.1 | 0.03 | 0.42 | 0.13 | 3.81 | 0.3 |
Tenuazonic acid | 0.01 | 0.01 | 0.56 | 0.43 | 2.44 | 0.57 |
9-Octadecenamide | 0.68 | 0.03 | 0.11 | 0.7 | 1.66 | 0.92 |
Prunasin | 0.08 | 0.06 | 0.27 | 0.18 | 2.67 | 0.25 |
Orientin 7-O-rhamnoside | 0.54 | 0.15 | 0.88 | 0.08 | 3.14 | 0.17 |
11-Hydroperoxy-12,13-epoxy-9-octadecenoic acid | 0.24 | 0.35 | 0.43 | 0.2 | 2.13 | 0.84 |
Hexadecanamide | 0.6 | 0.01 | 0.12 | 0.64 | 1.73 | 0.82 |
Ferulic acid | 0.01 | 0.08 | 0.68 | 0.03 | 1.65 | 0.32 |