Table 3.

The pharmacokinetic parameter assessment of the selected compounds using the computational approach.

Compounds	GI Absorption	BBB Permeation	Caco-2 Permeability	P-Glycoprotein Substrate	P-Glycoprotein Inhibitor	CYP1A2 Inhibitor	CYP2C19 Inhibitor	CYP2C9 Inhibitor	CYP3A4 Inhibitor
Anomalin	High	NO	0.938	NO	YES	NO	YES	YES	YES
Alantolactone	High	YES	1.603	NO	YES	NO	YES	YES	NO
Baicalein	High	NO	1.117	NO	NO	YES	NO	NO	YES
Berberin	High	YES	1.734	YES	NO	YES	NO	NO	YES
Bergenin	Low	NO	0.289	YES	NO	NO	NO	NO	NO
Catechin	Low	NO	−0.283	YES	NO	NO	NO	NO	NO
Continentalic acid	High	YES	1.742	NO	NO	NO	YES	YES	NO
Coumarin	High	YES	1.649	NO	NO	YES	NO	NO	NO
Epi-catechin	Low	NO	−0.283	YES	NO	NO	NO	NO	NO
Ferulic acid	High	YES	0.176	NO	NO	NO	NO	NO	NO
Gallic acid	Low	NO	−0.081	NO	NO	NO	NO	NO	YES
Honokiol	High	YES	1.586	YES	NO	YES	YES	YES	YES
Icariin	Low	NO	−0805	YES	YES	NO	NO	NO	NO
Linoleic acid	High	YES	1.57	NO	NO	YES	NO	YES	NO
Magnolol	High	YES	1.707	YES	NO	YES	YES	YES	YES
Matrine	High	YES	1.463	YES	NO	NO	NO	NO	NO
P-cumaric acid	High	YES	1.21	NO	NO	NO	NO	NO	NO
Pimelic acid	High	NO	0.598	NO	NO	NO	NO	NO	NO
Poncirin	Low	NO	0.62	YES	YES	NO	NO	NO	NO
Quercetin	Low	NO	−0.229	YES	NO	YES	NO	NO	YES
Rutin	Low	NO	−0.949	YES	NO	NO	NO	NO	NO
Vanillic acid	High	NO	0.33	NO	NO	NO	NO	NO	NO