Table 7.
Physicochemical properties of germacrene B, germacrone, curzerene, viridiflorol, and spathulenol according to SwissADME results.
| Property | Germacrene B | Germacrone | Curzerene | Viridiflorol | Spathulenol |
|---|---|---|---|---|---|
| Formula | C15H24 | C15H22O | C15H20O | C15H26O | C15H24O |
| M.W. | 204.35 | 218.33 | 216.32 | 222.37 | 220.35 |
| Heavy atoms | 15 | 16 | 16 | 16 | 16 |
| Fraction Csp3 | 0.60 | 0.53 | 0.47 | 1.00 | 0.87 |
| Rotatable bonds | 0 | 0 | 2 | 0 | 0 |
| H-bond acceptors | 0 | 1 | 1 | 1 | 1 |
| H-bond donors | 0 | 1 | 0 | 1 | 1 |
| MR | 70.68 | 70.88 | 68.74 | 68.82 | 68.34 |
| tPSA | 0.00 | 17.07 | 13.14 | 20.23 | 20.23 |
| iLogP | 3.27 | 2.97 | 3.10 | 3.08 | 3.04 |
| BBB permeation | No | Yes | Yes | Yes | Yes |
M.W., molecular weight (g/mol); MR, molar refractivity; tPSA, topological polar surface area (Å2); iLogP, lipophilicity; BBB, blood–brain barrier.