Table 3 Pharmacokinetic properties and bioavailability analysis of various metabolites (ADME).
Compound | Mol. Wt. (g/mol) | GI Absorption | P-gp Substrate | LogKp (Skin permeation) | Water Solubility (ESOL) | TPSA (Ų) | BBB Permeability | CYP Inhibitors | Bioavailability Score |
|---|---|---|---|---|---|---|---|---|---|
Myricetin 3-rhamnoside | 464.38 | Low | No | −0.23 | Soluble | 210.51 | No | None | 0.17 |
Quercetin | 302.24 | High | No | 1.23 | Soluble | 131.36 | No | 1A2, 2D6, 3A4 | 0.55 |
Protocatechuic acid | 154.12 | High | No | 0.65 | Very soluble | 77.76 | No | 3A4 | 0.56 |
Caffeic acid | 180.16 | High | No | 0.93 | Very soluble | 77.76 | No | None | 0.56 |
Carpaine | 478.71 | High | No | 4.64 | Poorly soluble | 76.66 | No | None | 0.55 |
2-methoxy-4-vinylphenol | 150.17 | High | No | 2.14 | Soluble | 29.46 | Yes | 1A2 | 0.55 |
Equisetin | 373.49 | High | Yes | 2.93 | Moderately soluble | 77.84 | Yes | 2C9, 3A4 | 0.56 |
Tenuazonic acid | 197.23 | High | No | 0.93 | Very soluble | 66.4 | No | None | 0.85 |
9-Octadecenamide | 281.48 | High | No | 5.32 | Moderately soluble | 43.09 | Yes | 1A2, 2C9 | 0.55 |
Prunasin | 295.29 | High | No | −0.59 | Very soluble | 123.17 | No | None | 0.55 |
Orientin 7-O-rhamnoside | 594.52 | Low | Yes | −1.4 | Soluble | 260.2 | No | None | 0.17 |
11-Hydroperoxy-12,13-epoxy-9-octadecenoic acid | 328.44 | High | No | 3.89 | Soluble | 79.29 | No | 2C9, 2D6 | 0.56 |
Hexadecanamide | 255.44 | High | No | 4.83 | Moderately soluble | 43.09 | Yes | 1A2 | 0.55 |
Ferulic acid | 194.18 | High | No | 1.36 | Soluble | 66.76 | Yes | None | 0.85 |
