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Table 2
Predicted pharmacokinetics parameters of the selected bioactive compounds of olive oil.
| Parameters | Selected bioactive compounds | |||||
|---|---|---|---|---|---|---|
| Linoleic acid | Maslinic acid | Melatonin | Oleanolic acid | Oleic acid | Tyrosol | |
| Molecular weight (g/mol) | 280.45 | 472.7 | 232.28 | 456.7 | 282.46 | 138.16 |
| Heavy atoms (HA) | 20 | 34 | 17 | 33 | 20 | 10 |
| Molar refractivity | 89.46 | 137.82 | 67.18 | 136.65 | 89.94 | 39.4 |
| Total polar surface area (Å2) | 37.30 | 77.76 | 54.12 | 57.53 | 37.3 | 40.46 |
| Consensus logP | 5.45 | 5.24 | 1.83 | 6.06 | 5.71 | 1.1 |
| ESOL class | Moderately soluble | Poorly soluble | Soluble | Poorly soluble | Moderately soluble | Very soluble |
| Gastrointestinal absorption | High | High | High | Low | High | High |
| Blood brain barrier (BBB) permeant | Yes | No | Yes | No | No | Yes |
| P-glycoprotein substrate | No | Yes | No | No | No | No |
| Cytochrome P450 inhibitor | CYP1A2, CYP2C9 | – | CYP1A2 | – | CYP1A2, CYP2C9 | – |
| Skin permeation log Kp (cm/s) | −3.05 | −4.56 | −6.59 | −3.77 | −2.6 | −6.84 |
| Lipinski violation | 1 | 1 | 0 | 1 | 1 | 0 |
| Bioavailability score | 0.85 | 0.56 | 0.55 | 0.85 | 0.85 | 0.55 |
| Synthetic accessibility | 3.10 | 6.22 | 1.73 | 6.08 | 3.07 | 1.00 |
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