Table 2.
ADMET profiling of active compounds.
| Plant Source | Active compounds | GI absorption | BBB permeant | P-gp substrate | CYP1A2 inhibitor | CYP2C19 inhibitor | CYP2C9 inhibitor | CYP2D6 inhibitor | CYP3A4 inhibitor | Log Kp (skin permeation) | Hepatotoxicity | Carcinogenicity | Mutagenicity | Cytotoxicity |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Solanum incanum | Beta-Sitosterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.2 | ✗ | ✗ | ✗ | ✗ |
| Lanosterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.58 | ✗ | ✗ | ✗ | ✗ | |
| Kaempferol | High | ✗ | ✗ | ✓ | ✗ | ✗ | ✗ | ✗ | −7.05 | ✗ | ✗ | ✗ | ✗ | |
| Protocatechuic acid | High | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✓ | −6.42 | ✗ | ✗ | ✗ | ✗ | |
| Abrus precatorius | Precatorine | High | ✗ | ✓ | ✗ | ✗ | ✗ | ✗ | ✗ | −7.21 | ✗ | ✗ | ✗ | ✗ |
| Sophoradiol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −3.59 | ✗ | ✗ | ✗ | ✗ | |
| Abrectorin | High | ✗ | ✗ | ✓ | ✗ | ✓ | ✓ | ✓ | −6.17 | ✗ | ✗ | ✗ | ✗ | |
| Cycloartenol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −1.96 | ✗ | ✗ | ✗ | ✗ | |
| Skrofulein | High | ✗ | ✗ | ✓ | ✗ | ✓ | ✓ | ✓ | −5.86 | ✗ | ✗ | ✗ | ✗ | |
| Withania somnifera | (+)-Catechin | High | ✗ | ✓ | ✗ | ✗ | ✗ | ✗ | ✗ | −7.82 | ✗ | ✗ | ✗ | ✗ |
| 24-Methyldesmosterol | Low | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | ✗ | −2.55 | ✗ | ✗ | ✗ | ✗ | |
| Beta-Sitosterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.2 | ✗ | ✗ | ✗ | ✗ | |
| Campesterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.5 | ✗ | ✗ | ✗ | ✗ | |
| Fucosterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.53 | ✗ | ✗ | ✗ | ✗ | |
| Kaempferol | High | ✗ | ✗ | ✓ | ✗ | ✗ | ✗ | ✗ | −7.05 | ✗ | ✗ | ✗ | ✗ | |
| Stigmasterol | Low | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | ✗ | −2.74 | ✗ | ✗ | ✗ | ✗ | |
| Stigmasterone | Low | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | ✗ | −2.98 | ✗ | ✗ | ✗ | ✗ | |
| Azadirachta indica | (+)-Catechin | High | ✗ | ✓ | ✗ | ✗ | ✗ | ✗ | ✗ | −7.82 | ✗ | ✗ | ✗ | ✗ |
| (+)-Ascorbic acid | High | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −8.54 | ✗ | ✗ | ✗ | ✗ | |
| Genistein 7-O-glucoside | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −8.33 | ✗ | ✗ | ✗ | ✗ | |
| Campesterol | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | −2.5 | ✗ | ✗ | ✗ | ✗ | |
| Stigmasterol | Low | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | ✗ | −2.74 | ✗ | ✗ | ✗ | ✗ | |
| 5,7-Dihydroxy-4′-methoxy-8,3′-di-C-prenylflavanone | High | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | ✓ | −4.21 | ✗ | ✗ | ✗ | ✗ | |
| Licoflavanone | High | ✗ | ✗ | ✓ | ✗ | ✓ | ✓ | ✓ | −5.22 | ✗ | ✗ | ✗ | ✗ | |
| 5,7-Dihydroxy-4′-methoxy-8-C-prenyl-3′-(3-hydroxy-3-methylbutyl)flavanone | High | ✗ | ✗ | ✗ | ✗ | ✗ | ✗ | ✓ | −5.3 | ✗ | ✗ | ✗ | ✗ | |
| alpha-Calacorene | Low | ✗ | ✗ | ✗ | ✗ | ✗ | ✓ | ✗ | −4.39 | ✗ | ✗ | ✗ | ✗ |