Table 8.
Comparison of predicted and reported antibacterial activities of some flavonoids.
| Compounds | Molecular weight | Predicted antibacterial activitiesa | Measured antibacterial activities | Coincidenceb | Reference | ||||
|---|---|---|---|---|---|---|---|---|---|
| By LogP | By LogD7.40 | ||||||||
| LogP | MIC (μM) | LogD7.40 | MIC (μM) | MIC (μg/mL) | MIC (μM) | ||||
| 67 | 338.35 | 4.20 | 121.21 | 3.77 | 162.30 | 62.5 | 184.7 | C | 16 |
| 68 | 336.34 | 5.55 | 54.21 | 4.82 | 52.69 | 62.5 | 185.8 | A | 16 |
| 69 | 314.29 | 2.16 | 2467.72 | 1.72 | 2794.56 | ≥ 200 | ≥ 636.4 | C | 17 |
| 70 | 298.29 | 3.10 | 695.19 | 2.32 | 1381.83 | ≥ 200 | ≥ 670.5 | C | 17 |
| 71 | 240.25 | 3.93 | 183.65 | 3.62 | 206.48 | 50–200 | 208.1–832.5 | C | 17 |
| 72 | 406.47 | 7.33 | 14.22 | 6.89 | 19.22 | 1.56–3.13 | 3.8–7.7 | C | 4 |
| 73 | 270.24 | 2.83 | 1030.88 | 2.16 | 1683.78 | > 125–240 | > 462.6–888.1 | C | 4 |
| 74 | 432.38 | 1.70 | 4166.24 | 0.76 | 7234.60 | 1–2 | 2.3–4.6 | U | 4 |
| 75 | 542.62 | 8.63 | 23.00 | 8.17 | 13.80 | 2.3–37.5 | 4.4–69.1 | C | 4 |
| 76 | 422.47 | 6.59 | 31.55 | 6.40 | 32.27 | 0.5–4 | 1.2–9.5 | A | 4 |
| 77 | 424.49 | 6.60 | 31.25 | 6.42 | 31.74 | 2.9 | 6.8 | U | 4 |
| 78 | 324.37 | 5.49 | 54.80 | 5.44 | 47.91 | 0.3–0.6 | 0.9–1.9 | U | 4 |
| 79 | 408.49 | 5.95 | 48.36 | 5.70 | 45.79 | 0.6–1.22 | 1.5–3.0 | U | 4 |
| 80 | 406.51 | 8.35 | 21.21 | 7.93 | 10.00 | 0.125–2 | 0.3–4.9 | A | 4 |
| 81 | 338.4 | 4.95 | 61.35 | 4.82 | 52.69 | 3.13–16 | 9.3–47.3 | C | 4 |
| 82 | 338.4 | 4.95 | 61.35 | 4.82 | 52.69 | 3.13–6.25 | 9.4–18.9 | A | 18,19 |
| 83 | 286.28 | 2.57 | 1471.41 | 2.44 | 1185.40 | > 25–100 | > 87.3–349.3 | C | 18,19 |
| 84 | 256.25 | 2.76 | 1137.07 | 2.61 | 946.52 | > 100 | > 390.2 | C | 18,19 |
| 85 | 418.39 | 0.61 | 11,968.2 | 0.46 | 9405.99 | > 50 | > 119.5 | C | 18,19 |
| 86 | 352.34 | 5.67 | 52.85 | 5.07 | 49.83 | 12.5 | 35.5 | C | 18,19 |
| 87 | 268.26 | 3.15,16 | 644.51 | 2.91 | 621.60 | > 25–100 | > 93.2–372.8 | C | 18,19 |
| 88 | 382.41 | 5.38 | 55.79 | 5.12 | 49.51 | > 25–50 | > 65.4–130.8 | C | 18,19 |
| 89 | 354.35 | 4.15,16 | 130.39 | 3.48 | 258.70 | 12.5–25 | 35.3–70.6 | C | 18,19 |
| 90 | 382.41 | 5.75 | 51.77 | 5.75 | 45.21 | > 50 | > 130.8 | U | 18,19 |
| 91 | 424.53 | 6.32 | 39.42 | 6.32 | 34.31 | 3.13–6.25 | 7.4–14.7 | A | 18,19 |
| 92 | 370.44 | 4.41 | 93.10 | 4.40 | 68.92 | 6.25–12.5 | 16.9–33.7 | A | 18,19 |
| 93 | 324.37 | 4.18 | 124.77 | 4.18 | 88.60 | 6.25–12.5 | 19.3–38.5 | A | 18,19 |
| 94 | 322.35 | 6.64 | 30.07 | 6.63 | 26.09 | 12.5–25 | 38.8–77.6 | C | 18,19 |
| 95 | 302.24 | 2.07 | 2746.05 | 1.40 | 3919.38 | > 125 | > 413.6 | C | 20 |
| 96 | 254.24 | 2.88 | 960.17 | 2.33 | 1364.52 | > 125 | > 491.7 | C | 20 |
| 97 | 302.24 | 2.62 | 1376.51 | 1.95 | 2158.21 | 500 | 1654.3 | C | 20 |
| 98 | 318.24 | 2.11 | 2619.40 | 1.42 | 3839.98 | 62.5–125 | 196.4–392.8 | U | 20 |
| 99 | 238.24 | 3.76 | 242.43 | 3.74 | 170.26 | > 125 | > 524.7 | U | 20 |
| 100 | 270.24 | 2.1 | 2650.61 | 1.57 | 3284.32 | ≥ 125 | ≥ 462.6 | C | 20 |
| 101 | 286.24 | 2.52 | 1571.57 | 2.22 | 1564.90 | > 125 | > 436.7 | C | 20 |
| 102 | 284.26 | 3.04 | 760.45 | 2.50 | 1096.06 | > 125 | > 439.7 | C | 20 |
| 103 | 300.26 | 3.00 | 806.77 | 2.33 | 1364.52 | > 125 | > 416.3 | C | 20 |
| 104 | 302.24 | 2.54 | 1530.86 | 2.14 | 1724.98 | 31.3–62.5 | 103.4–206.8 | U | 20 |
| 105 | 360.31 | 3.02 | 783.32 | 2.32 | 1381.83 | > 125 | > 346.9 | C | 20 |
| 106 | 284.26 | 3.22 | 578.89 | 2.45 | 1170.12 | > 125 | > 439.7 | C | 20 |
| 107 | 254.24 | 2.51 | 1592.25 | 2.19 | 1623.47 | 31.3–62.5 | 122.9–245.8 | U | 20 |
| 108 | 418.39 | 0.61 | 11,968.2 | 0.46 | 9405.99 | > 128 | > 305.9 | C | 21 |
| 109 | 460.43 | 2.46 | 1699.00 | 2.31 | 1399.32 | > 128 | > 278.0 | C | 21 |
| 110 | 550.51 | 2.24 | 2239.77 | 2.06 | 1897.96 | > 128 | > 232.5 | C | 21 |
| 111 | 418.39 | 1.04 | 8107.91 | 0.87 | 6546.46 | > 128 | > 305.9 | C | 21 |
| 112 | 302.28 | 2.36 | 1929.91 | 2.19 | 1623.47 | > 128 | > 423.5 | C | 21 |
| 113 | 270.28 | 3.23 | 570.00 | 3.10 | 468.93 | 64–128 | 236.8–473.6 | C | 21 |
| 114 | 256.25 | 3.40 | 436.17 | 3.26 | 366.65 | 128 | 499.5 | C | 21 |
| 115 | 354.35 | 5.03 | 59.77 | 4.48 | 64.08 | 32–64 | 90.3–180.6 | C | 21 |
| 116 | 352.34 | 4.63 | 73.82 | 4.07 | 102.86 | 32–64 | 90.8–181.6 | C | 21 |
| 117 | 368.38 | 5.33 | 56.22 | 5.08 | 49.76 | 64 | 173.73 | A | 21 |
| 118 | 352.38 | 5.69 | 52.59 | 5.40 | 48.13 | 16 | 45.41 | C | 21 |
| 119 | 406.47 | 7.33 | 14.22 | 7.16 | 13.23 | 8 | 19.68 | C | 21 |
| 120 | 338.35 | 5.24 | 57.06 | 4.69 | 55.65 | 16–32 | 47.3–94.6 | C | 21 |
| 121 | 368.38 | 4.70 | 69.97 | 4.27 | 79.27 | 64 | 173.7 | A | 21 |
| 122 | 422.47 | 7.13 | 17.41 | 6.89 | 19.22 | 16 | 37.9 | C | 21 |
| 123 | 368.38 | 4.56 | 78.51 | 4.27 | 79.27 | 32–64 | 86.9–173.7 | C | 21 |
| 124 | 354.35 | 5.47 | 54.98 | 5.21 | 49.04 | 32–64 | 90.3–180.6 | C | 21 |
| 125 | 354.35 | 5.47 | 54.98 | 5.21 | 49.04 | 32 | 90.3 | C | 21 |
| 126 | 384.42 | 4.83 | 64.65 | 4.67 | 56.23 | 32–64 | 83.2–166.5 | C | 21 |
| 127 | 424.49 | 6.69 | 28.60 | 6.50 | 29.62 | 8 | 18.9 | C | 21 |
| 128 | 368.38 | 5.99 | 47.55 | 5.98 | 41.74 | 16 | 43.4 | C | 21 |
| 129 | 384.38 | 3.76 | 242.43 | 3.76 | 164.91 | ≥ 128 | ≥ 333.0 | C | 21 |
| 130 | 368.38 | 5.61 | 53.56 | 5.59 | 46.85 | 16–32 | 43.4–86.9 | C | 21 |
| 131 | 384.38 | 3.86 | 205.75 | 3.86 | 140.83 | > 128 | > 333.0 | C | 21 |
| 132 | 410.46 | 5.79 | 51.17 | 5.79 | 44.71 | > 128 | > 311.9 | U | 21 |
| 133 | 340.37 | 4.10 | 140.56 | 4.10 | 98.63 | 16 | 47.0 | A | 21 |
| 134 | 382.41 | 5.75 | 51.77 | 5.75 | 45.21 | > 50–128 | > 130.8–334.7 | A | 21 |
Antibacterial activities were expressed as MICs of flavonoids to gram-positive bacteria which include S. aureus, S. epidermidis and B. subtilis.
aLogP and LogD7.40 were calculated using software ACD/Labs 6.0.
bC, Complete coincidence; A, Acceptable; U, Unacceptable.