Table 1.
Pharmacokinetic properties of J. adhatoda alkaloids.
| Compound | MW | H-Ac | H-Do | Nrot | TPSA | GIA | BBB | LFV | GFV |
|---|---|---|---|---|---|---|---|---|---|
| Vasicoline | 291.39 | 1 | 0 | 2 | 18.84 | High | Yes | 0 | 0 |
| Vasicolinone | 305.37 | 2 | 0 | 2 | 38.13 | High | Yes | 0 | 0 |
| Vasicinone | 202.21 | 3 | 1 | 0 | 55.12 | High | No | 0 | 0 |
| Vasicine | 188.23 | 2 | 1 | 0 | 35.83 | High | No | 0 | 0 |
| Adhatodine | 335.4 | 3 | 1 | 4 | 53.93 | High | Yes | 0 | 0 |
| Anisotine | 349.38 | 4 | 1 | 4 | 73.22 | High | Yes | 0 | 0 |
MW = Molecular weight (g/mol); H-Ac = No. of hydrogen bond acceptors; H-Do = No. of hydrogen bond donors; Nrot = No. of rotatable bonds; TPSA = Topological polar surface area (Å2); LogP = Predicted octanol/water partition coefficient; GIA = Gastrointestinal absorption; BBB = Blood brain barrier permeation; LFV = Lipinski filter violation; GFV = Ghose filter violation.