Table 6.
Predictions of the pharmacokinetics ADME properties of crude myrrh resins using SwissADME computational tool.
| Compounds Number (Name) | Molecular Weight (g/mol |
HB Donor | HB Acceptor | Log Po/w (WLOGP) | Log S (SILICO S-IT) | BBB Permeant | GI Absorption | Rule of Five (ROF) |
|---|---|---|---|---|---|---|---|---|
| Crude Myrrh Resin | ||||||||
| 1 (4,5-Dihydrofuranodienone) |
288.34 | 0 | 4 | 3.54 | −4.23 Moderately soluble |
Yes | High | Yes; 0 violation |
| 2 (Furanodienone) |
230.30 | 0 | 2 | 4.00 | −4.40 Moderately soluble |
Yes | High | Yes; 0 violation |
| 3 (Mansumbinone) |
312.49 | 0 | 1 | 5.71 | −5.18 Moderately soluble |
No | High | Yes; 0 violation |
| 4 (Campestan-3b-ol) |
272.47 | 0 | 0 | 6.76 | −5.18 Moderately soluble |
No | High | Yes; 0 violation |
| 5 (Cembrene-A) |
400.68 | 1 | 1 | 7.78 | −6.17 Poorly soluble |
No | Low | Yes; 0 violation |
| 6 (Pregnadienes) |
312.45 | 0 | 2 | 4.64 | −4.58 Moderately soluble |
Yes | High | Yes; 0 violation |
| 7 (Z,4Z-Furanodien-6-one) |
230.30 | 0 | 2 | 4.00 | −4.40 Moderately soluble |
Yes | High | Yes; 0 violation |
| 8 (Guggulsterols) |
432.64 | 3 | 4 | 4.65 | −4.12 Moderately soluble |
No | High | Yes; 0 violation |
| 9 (3,4-Seco-mansumbinoic acid) |
230.50 | 1 | 2 | 5.84 | −4.44 Moderately soluble |
Yes | High | Yes; 0 violation |