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. 2020 Apr 30;9(5):223. doi: 10.3390/antibiotics9050223

Table 4.

Flavonoid and (iso)flavonoid derivatives categorized as class B according to experimental MIC (10−20 μg·mL). Class predicted by SAR is created from structural fragments, whereas QSAR predicted MIC uses experimental MIC in the algorithm.

Compounds Class Class Predicted SAR pMIC pMIC Predicted Experimental MIC QSAR Predicted MIC Class Predicted QSAR
Neobavaisoflavone B A1 −1.3 −1.61 20.0 40.7 C
Dihydroauriculatin B A4 −1.15 −0.99 14.1 9.8 A
Eryvarin C B A4 −1.27 −1.44 18.6 27.5 C
Erystagallin A B B1 −1.04 −1.27 11.0 18.6 B
Eryzerin E B B1 −1.19 −1.27 15.5 18.6 B
Orientanol C B B1 −1.19 −1.65 15.5 44.7 C
Eryvarin V B B1 −1.27 −1.22 18.6 16.6 B
5−Hydroxysophoranone B B2 −1.1 −0.93 12.6 8.5 A
Abyssinone IV B B2 −1.1 −1.25 12.6 17.8 B
Erybraedin C B B3 −1.1 −1.03 12.6 10.7 A
Eryvarin D B B3 −1.1 −0.98 12.6 9.5 A
Ptorepterocarpan B B3 −1.1 −0.99 12.6 9.8 A
Eryzerin A B B3 −1.27 −1.25 18.6 17.8 B
Phaseollidin B B3 −1.39 −1.12 24.5 13.2 B
Eryvarin Y B B4 −1.27 −1.23 18.6 17.0 B
Citflavanone B B5 −1.1 −1.74 12.6 55.0 C
Glabrocoumarone A B B5 −1.1 −1.2 12.6 15.8 B
Erybraedin B B C4 −1.1 −1.04 12.6 11.0 B
Lupinifolin B D4 −1.1 −1.72 12.6 52.5 C