Table 6 ADME parameters of zerumbone and α-humulene computed using ACD iLab.

From: Zerumbone reduces proliferation of HCT116 colon cancer cells by inhibition of TNF-alpha

ADME parameters

Zerumbone

α-humulene

Absorption

8.43 × 10−4 cm/s

8.46 × 10−4 cm/s

Absorption rate Ka

0.058 min−1

0.058 min−1

Blood-Brain Barrier (BBB)

LogPS

−1

−1

LogPB

0.37

0.35

Log(PS*fu, brain)

−2.9

−3.2

LogBB

0.37

0.35

LogPS

−1

−1

DBP

96.92%

98.59%

Vd

2.23 L/kg

3.71 L/kg

Pgp Substrate

Non-substrate

Non-substrate

Pgp Inhibitor

Non-inhibitor

Non-inhibitor

  1. LogPS: Rate of brain penetration; LogPB: Extent of brain penetration; Log(PS*fu, brain): Brain/plasma equilibration rate; LogBB: Blood-Brain Distribution (rodent); LogPS: BBB Permeability (rat); DBP: Drug binding to plasma proteins (human); Vd: Voume of Distrubtutin (human); Pgp Substrate: P-glycoprotein substrate specificity; Pgp Inhibitor: P-glycoprotein inhibitor specificity.