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. 2021 Oct 28;6(44):29664–29674. doi: 10.1021/acsomega.1c04027

Table 1. Compounds Used for the Training and Prediction of the QSAR Models.

training
prediction
name Gα-interaction (kcal/mol) name Gα-interaction (kcal/mol)
5-oxo-ETE –896.5 5-HETE –710.8
testosterone –663 12-HpETE –713.8
TC150 –657.3 15HpETE –758.3
TC151 –645.2 12-HETE –717.7
TC153 –635.2 15-HETE –723.8
B2 –665.2 progesterone –773.6
B5 –736.2 DHEA –660.8
epicatechin –642.8 TC404 –680.8
    TC405 –692
    TC406 –662.8
    TC407 –732.4
    B1 –676.6
    B3 –663.8
    B4 –682.9
    catechin –669.2
    catechin_galate –718.5
    epicatechin-3-O-gallate –680.2
    epigallocatechin_gallate –721.7