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. 2021 Feb 17;11(2):155. doi: 10.3390/life11020155

Table 7.

Toxicological properties of the selected compounds by admetSAR.

Compounds Parameters
Ames Toxicity Carcinogens Acute Oral
Toxicity
Rat Acute
Toxicity
Guanosine NAT NC III 1.9927
.beta.-D-Glucopyranose, 1,6-anhydro- NAT NC IV 1.6577
9-Octadecenoic acid (Z)-,
phenylmethyl ester
NAT NC III 1.5033
Benzoic acid, 3,4,5-trimethoxy- NAT NC II 2.7484
Andrographolide NAT NC III 3.0943
Hexadecanoic acid, methyl ester NAT C III 1.4915
Pentadecanoic acid, 14-methyl-,
methyl ester
NAT C III 1.5702
Eicosanoic acid, phenylmethyl ester NAT NC III 1.4991
9,12-Octadecadienoic acid,
methyl ester, (E,E)-
NAT C III 1.7357
3-Trifluoroacetoxypentadecane NAT C III 2.7356
Hexadecanoic acid,
2-hydroxy-1-(hydroxymethyl)ethyl ester
NAT NC IV 1.0285
Thymol, TMS derivative NAT NC III 2.2531

NAT: Non Ames toxic; NC: Non-carcinogenic; (Category II contains compounds with LD50 values ˃50 mg/kg and ˂500 mg/kg. Category III includes compounds with LD50 values ˃500 mg/kg and ˂5000 mg/kg. Category IV consisted of compounds with the median lethal dose (LD50) values ˃5000 mg/kg).