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. 2021 Mar 15;19(1):e6. doi: 10.5808/gi.20068

Table 6.

ADME prediction of final selected 10 alkaloids using pre-ADMET tool

No. Compound Human intestinal absorption (HIA, %) Caco-2 cell permeability (nm/s) MDCK cell permeability (nm/s) Skin permeability (logKp, cm/h) Blood brain barrier penetration (C.brain/C.blood)
1 Moronic acid 97.629 22.270 0.043 ‒1.96099 4.35022
(well absorbed) (middle) (low) (high)
2 Cadambagenic acid 94.671 21.010 0.044 ‒2.90457 2.72322
(well absorbed) (middle) (low) (high)
3 Maslinic acid 84.065 21.302 0.805 ‒5.13957 0.258554 (middle)
(well absorbed) (middle) (low)
4 Nortripterifordin 95.204 21.983 112.722 ‒3.06612 2.51705
(well absorbed) (middle) (middle) (high)
5 Michellamine 90.663 20.059 0.043 ‒3.17237 2.32226
(well absorbed) (middle) (low) (high)
6 Cadambine 67.555 3.851 0.054 ‒5.17586 0.0374348
(medium absorbed) (middle) (low) (low)
7 Repandusinic acid 00.000 15.834 0.043 ‒2.63834 0.0277558
(no absorbed) (middle) (low) (low)
8 3a-Dihydrocadambine 52.205 6.134 0.073 ‒5.11884 0.035656
(medium absorbed) (middle) (low) (low)
9 Hinokiflavone 86.954 7.156 0.084 ‒3.36300 0.280203 (middle)
(well absorbed) (middle) (low)
10 Robustaflavone 81.196 12.043 0.043 ‒3.45363 0.122688 (middle)
(well absorbed) (middle) (low)

ADME properties showed that these compounds are good lead molecules.