Table 3.
Flavonoid and (iso)flavonoid derivatives categorized as class A according to experimental MIC (0–10 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 |
|---|---|---|---|---|---|---|---|
| Isolupalbigenin | A | A1 | −0.36 | -0.87 | 2.3 | 7.4 | A |
| Corylifol A | A | A1 | −0.7 | −1.14 | 5.0 | 13.8 | B |
| Eryzerin C | A | A2 | −0.67 | −1.16 | 4.7 | 14.5 | B |
| lonchocarpol A | A | A2 | −0.8 | −0.93 | 6.3 | 8.5 | A |
| Orientenol E | A | A2 | −0.82 | −0.92 | 6.6 | 8.3 | A |
| Diprenylgenistein | A | A2 | −0.89 | −1.08 | 7.8 | 12.0 | B |
| Erythrinin B | A | A2 | −0.89 | −1.31 | 7.8 | 20.4 | B |
| Erythrabyssin−II | A | A3 | −0.26 | −0.83 | 1.8 | 6.8 | A |
| Erycristagallin | A | A3 | −0.46 | −0.36 | 2.9 | 2.3 | A |
| Orientanol F | A | A4 | −0.89 | −1.14 | 7.8 | 13.8 | B |
| Erybacin B | A | A4 | −0.97 | −0.9 | 9.3 | 7.9 | A |
| Eryzerin D | A | A4 | −0.97 | −1.27 | 9.3 | 18.6 | B |
| Eryvarin W | A | B3 | −0.36 | −0.51 | 2.3 | 3.2 | A |
| Erybraedin A | A | B3 | −0.69 | −0.76 | 4.9 | 5.8 | A |
| Orientanol B | A | C2 | −0.67 | −0.99 | 4.7 | 9.8 | A |
| Erycristin | A | C2 | −0.8 | −1.01 | 6.3 | 10.2 | A |
| Bidwillol A | A | C2 | −0.97 | −0.95 | 9.3 | 8.9 | A |
| Diprenyl costarone | A | D3 | −0.67 | −1.12 | 4.7 | 13.2 | B |