Table 7 ADME prediction of 6-Gingerol based on admetSAR server

Parameters

Value

Probability

Finding

Human intestinal absorption (HIA)

+

0.9924

Yes

Human oral bioavailability (HOB)

-

0.7714

No

Caco-2 permeability

+

0.5943

Yes

Log Kp (skin permeation)

-

-6.14 cm/s

-

Distribution

 Blood-brain barrier penetration (BBB)

+

0.7879

Yes

 Estrogen receptor binding (ERB)

+

0.8332

Yes

 Androgen receptor binding (ARB)

-

0.5000

No

 P-glycoprotein substrate

+

0.5562

Yes

 P-glycoprotein inhibitor

-

0.8934

No

 Plasma protein binding (PPB)

0.857

100%

Yes

Metabolism

 Cytochrome P450 (CYP450)

CYP3A4 substrate

+

0.5566

Yes

CYP3A4 inhibition

-

0.5902

No

CYP2C9 substrate

-

0.7974

No

CYP2C9 inhibition

-

0.8278

No

CYP2D6 substrate

+

0.3792

Yes

CYP2D6 inhibition

-

0.7926

No

 Pharmacokinetics transporters

OATP1B1 inhibitor

+

0.8982

Yes

OATP1B3 inhibitor

+

0.9091

Yes

BSEP inhibitor

+

0.7452

Yes

Excretion and Toxicity

 Organ toxicity

Human either-a-go-go-ralted gene (hERG) inhibition

+

0.7369

Yes

Acute oral toxicity

2.29

kg/mol

-

 Genomic toxicity

Ames mutagenesis

-

0.5700

No

Carcinogenicity (binary)

-

0.7000

No

Carcinogenicity (trinary)

Non-required

0.7188

No

 Eco-toxicity

Crustacea aquatic toxicity

-

0.5185

No

Biodegradation

-

0.6250

No

Hepatotoxicity

-

0.8000

No

Eye corrosion

-

0.9803

No

Eye irritation

+

0.9328

Yes

Honeybee toxicity

+

0.7611

Yes

Fish aquatic toxicity

-

0.9799

Yes

Tetrahymena Pyriformis

0.888

pIGC₅₀ (ug/L)

-