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Table 15 Toxicity parameters of the hydroxytyrosol, oleuropein, apigenin, pinoresinol

From: Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study

 

Toxicity

Environmental toxicity

Toxicophore rules

Molecule

hERG

H-HT

AMES Tox

SkinSen -

DILI

Carcinogencity

IGC50

LC50FM

LC50DM

Acute toxicity rule

Genotoxic carcinogenicity rule

Hydroxytyrosol

− −

− −

 + 

+ + 

− −

3.03

3.29

4.26

0 Alert(s)

0 Alert(s)

Oleuropein

− −

+ + 

− −

+ + +

+ + +

3.52

4.5

5.38

0 Alert(s)

1 Alert(s)

Apigenin

− −

− −

+ + + 

+ +

4.58

5.20

5.20

0 Alert(s)

0 Alert(s)

Pinoresinol

− −

+ 

5.02

5.80

6.63

0 Alert(s)

0 Alert(s)