Table 1.
Physicochemical properties of 4 lead flavonoids.
| Flavonoid/Compound Name | Physicochemical Properties | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| MF | MW | HA | AHA | HBD | HBA | RB | MR | TPSA | |
| BI-2852 (reference) | C31H28N6O2 | 516.59 | 39 | 29 | 4 | 4 | 7 | 155.12 | 99.9 |
| 5-Dehydroxy paratocarpin K (L1) | C20H18O4 | 322.35 | 24 | 12 | 1 | 4 | 1 | 91.65 | 55.76 |
| Carpachromene (L2) | C20H16O5 | 336.34 | 25 | 16 | 2 | 5 | 1 | 96.09 | 79.9 |
| Sanggenone H (L3) | C20H18O6 | 354.35 | 26 | 12 | 3 | 6 | 1 | 95.69 | 96.22 |
| Kuwanol C (L4) | C25H26O6 | 422.47 | 31 | 12 | 3 | 6 | 4 | 119.25 | 96.22 |
Note: MF—Molecular weight; MW-Molecular weight in g/mol; HA—Heavy atoms; AHA—Aromatic heavy atoms; HBD—Hydrogen-bond donor; HBA—Hydrogen-bond acceptor; RB—Rotatable bonds; MR—Molar refractivity in m3/mol; TPSA—Topological polar surface area in Å.