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. 2024 Apr 29;14:9828. doi: 10.1038/s41598-024-59577-4

Table 4.

Summary of calculation of ADME results for selected Limonene derivatives.

S/N. Absorption Distribution Metabolism Excretion
Water solubility Log S Caco-2 ppermeability (10–6 cm/s) Intestinal absorption (human) % VDss (human) (log L/kg) B.B.B permeability CYP450 1A2 inhibitor CYP450 2C9 Inhibitor Total clearance (ml/min/kg) Renal OCT2 substrate
01 − 3.568 1.403 95.898 0.396 Yes No No 0.214 No
02 − 5.546 1.560 95.125 0.92 No Yes No 0.187 No
03 − 2.252 1.719 100 − 1.411 Yes No No 0.643 No
04 − 2.683 1.312 100 − 1.602 Yes No No − 0.003 Yes
05 − 2.656 1.263 100 0.039 Yes No No − 17.034 No
06 − 5.502 1.527 95.883 0.906 Yes Yes No 0.314 No