Affinities, inhibitions and property parameters of flavonoids for xanthine oxidasea.
| Name | Inhibition IC50 (μmol L−1) | Affinity | TPSA (Å2) | X log P3 | |||
|---|---|---|---|---|---|---|---|
| K sv (106) | K q (1013) | log10 Ka | n | ||||
| Flavone | 0.3464 | 0.0552 | 0.8903 | 6.3124 | 1.3695 | 26.3 | 3.6 |
| 7-OH flavone | 0.1505 | 0.0360 | 0.5806 | 4.4265 | 0.9676 | 46.5 | 3.6 |
| Chrysin | 0.0138 | 0.0195 | 0.3145 | 2.5792 | 0.6025 | 66.8 | 2.1 |
| Baicalin | 0.0267 | 0.3668 | 5.9161 | 8.9699 | 1.8782 | 183.0 | 1.1 |
| Baicalein | 0.0258 | 0.1981 | 3.1951 | 7.3561 | 1.5312 | 87.0 | 1.7 |
| Wogonin | 0.0174 | — | — | — | — | 76.0 | 3.0 |
| Apigenin | 0.0007 | 0.0285 | 0.4596 | 2.1428 | 0.4524 | 87.0 | 1.7 |
| Luteolin | 0.0003 | 0.0926 | 1.4935 | 6.2828 | 1.3087 | 107.0 | 1.4 |
| Hispidulin | 0.0159 | 0.0989 | 1.5951 | 6.1617 | 1.2571 | 96.2 | 1.7 |
| Tangeretin | 1.7885 | 0.1498 | 2.4161 | 5.1591 | 1.0022 | 72.4 | 3.0 |
| Nobiletin | 0.2647 | 0.9637 | 15.5435 | 14.019 | 2.8371 | 81.7 | 3.0 |
| Galangin | 0.0090 | 0.0276 | 0.4451 | 4.0235 | 0.9038 | 87.0 | 2.3 |
| Kaempferide | ND | — | — | — | — | 96.2 | 2.2 |
| Kaempferol | 0.0050 | 0.0225 | 0.3629 | 4.5889 | 1.0535 | 107.0 | 1.9 |
| Kaempferitrin | 0.2788 | 0.0929 | 1.4983 | 7.0817 | 1.5204 | 225.0 | −0.1 |
| Quercetin | 0.0001 | 0.0477 | 0.7693 | 4.9449 | 1.0614 | 127.0 | 1.5 |
| Myricetin | 0.0086 | 0.0294 | 0.4741 | 4.7891 | 1.0764 | 148.0 | 1.2 |
| Fisetin | 0.0063 | 0.0729 | 1.1758 | 6.4458 | 1.3663 | 107.0 | 2.0 |
| Rutin | 1.0333 | 0.0532 | 0.8580 | 5.9546 | 1.2904 | 266.0 | −1.3 |
| Formononetin | 0.0719 | 0.0147 | 0.2370 | 2.8576 | 0.6866 | 55.8 | 2.8 |
| Genistein | 0.2508 | 0.0537 | 0.8661 | 6.3981 | 1.3911 | 87.0 | 2.7 |
| Daidzein | 0.1799 | 0.0230 | 0.3709 | 5.4529 | 1.2554 | 66.8 | 2.5 |
| Biochanin A | 0.1570 | 0.0359 | 0.5790 | 0.3808 | 0.7052 | 76.0 | 3.0 |
| Tectorigenin | 0.1426 | 0.0644 | 1.0387 | 3.0234 | 0.6283 | 96.2 | 2.6 |
| Puerarin | 2.1074 | 0.0290 | 0.4677 | 5.2024 | 1.1801 | 157.0 | 0.0 |
| Dihydromyricetin | 0.0428 | 0.0470 | 0.7580 | 5.6369 | 1.2262 | 148.0 | 1.1 |
| Naringenin | 0.1436 | 0.0568 | 0.9161 | 5.8127 | 1.2510 | 87.0 | 2.4 |
| Naringin | 0.3267 | 0.0846 | 1.3645 | 7.6780 | 1.6838 | 225.0 | −0.5 |
| C (2,3-trans) | 0.2591 | — | — | — | — | 110.0 | 0.4 |
| EC (2,3-cis) | 0.2774 | — | — | — | — | 110.0 | 0.4 |
| ECG (2,3-cis) | 0.2610 | 0.0193 | 0.3112 | 4.7240 | 1.099 | 177.0 | 1.5 |
| EGC (2,3-cis) | 0.2510 | — | — | — | — | 131.0 | 0.0 |
| EGCG (2,3-cis) | 0.2805 | 0.0226 | 0.3645 | 5.3153 | 1.2461 | 197.0 | 1.2 |
| GC (2,3-trans) | 0.2819 | — | — | — | — | 131.0 | 0.0 |
| GCG (2,3-trans) | 0.0063 | 0.0178 | 0.2871 | 4.3766 | 1.0301 | 197.0 | 1.2 |
a
TPSA: values were obtained from https://pubchem.ncbi.nlm.nih.gov/compound/, and the units are Å2.