Integrating In Silico and In Vitro Approaches to Screen the Antidiabetic Properties from Tabernaemontana divaricata (Jasmine) Flowers

Table 5

Pharmacokinetic properties of flower extract of T. divaricate.

Pharmacokinetics
Compound	Gi absorption	BBB permeant	P-gp substrate	CYP1A2 inhibitor	CYP2C19 inhibitor	CYP2C9 inhibitor	CYP2D6 inhibitor	CYP3A4 inhibitor	Log Kp (skin permeation)
Dodecatriene	low	No	No	Yes	No	Yes	No	No	−3.27
Cyclohexane propanoic acid	High	Yes	No	No	No	No	No	No	−6.70
D-Glucopyranoside	Low	No	Yes	No	No	No	No	No	−13.53
Vitamin D3	Low	No	No	No	No	Yes	No	No	−3.00
Desulphosinigrin	Low	No	Yes	No	No	No	No	No	−8.91
Lactose	Low	No	Yes	No	No	No	No	No	−10.92
n-Hexadecanoic acid	High	Yes	No	Yes	No	Yes	No	No	−2.77
Cyclopropane tetradecanoic acid	Low	No	Yes	Yes	No	No	No	No	−0.75
Octadecadienoic acid	High	Yes	No	Yes	No	Yes	No	No	−3.05
Phthalonitrile	High	Yes	No	Yes	Yes	Yes	No	No	−4.73
Octadecatrienoic acid	High	No	Yes	No	Yes	Yes	No	Yes	−4.65
Squalene	Low	No	No	No	No	No	No	No	−0.58
Cholestan	Low	No	No	No	No	No	No	No	−2.25
Vitamin A aldehyde	High	No	No	Yes	No	Yes	No	No	−3.60
1-Heptatriacotanol	Low	No	Yes	No	No	No	No	No	3.55
Methyl ester	Low	No	Yes	Yes	No	No	No	No	−3.31
Acetaldehyde	Low	No	Yes	Yes	No	No	No	No	−6.76
2-Phenylthiolane	High	Yes	No	Yes	No	No	No	No	−5.25
Propanamide	High	No	No	No	No	No	No	No	−7.21
Cyclopropane	High	No	No	No	No	No	No	No	−6.71
Cyclohexene, 3-ethenyl	Low	Yes	No	No	No	No	No	No	−4.78
N-Methylallylamine	Low	No	No	No	No	No	No	No	−6.42
Tetrazole	High	No	No	No	No	No	No	No	−7.44
Benzene dicarboxylic acid	High	No	No	No	No	No	No	No	−2.71
Methylnonadecane	Low	No	No	Yes	No	No	No	No	−0.38
Phthalic acid	Low	No	No	No	No	No	No	Yes	−3.16