Table 2 Information for Potential active ingredients of SZLBD.
Mol ID | Molecule name | Herb Pinyin | OB (%) | DL |
|---|---|---|---|---|
MOL000622 | Magnograndiolide | Huanglian, Huangbai | 63.709 | 0.188 |
MOL008647 | Moupinamide | Huanglian | 86.712 | 0.265 |
MOL000098 | Quercetin | Huanglian, Huangbai, Machixian | 46.433 | 0.275 |
MOL000785 | Palmatine | Huanglian, Huangbai | 64.601 | 0.645 |
MOL000762 | Palmidin A | Huanglian, Huangbai | 35.358 | 0.650 |
MOL002894 | Berberrubine | Huanglian, Huangbai | 35.736 | 0.727 |
MOL013352 | Obacunone | Huanglian, Huangbai | 43.286 | 0.767 |
MOL002903 | (R)-Canadine | Huanglian | 55.367 | 0.775 |
MOL002907 | Corchoroside A_qt | Huanglian | 104.954 | 0.776 |
MOL002897 | Epiberberine | Huanglian | 43.092 | 0.776 |
MOL001454 | Berberine | Huanglian, Huangbai | 36.861 | 0.777 |
MOL002904 | Berlambine | Huanglian | 36.681 | 0.816 |
MOL001458 | Coptisine | Huanglian, Huangbai | 30.672 | 0.856 |
MOL002668 | Worenine | Huanglian, Huangbai | 45.833 | 0.866 |
MOL002659 | Kihadanin A | Huangbai | 31.605 | 0.702 |
MOL002671 | Candletoxin A | Huangbai | 31.811 | 0.688 |
MOL002666 | Chelerythrine | Huangbai | 34.184 | 0.780 |
MOL002636 | Kihadalactone A | Huangbai | 34.209 | 0.817 |
MOL006413 | Phellochin | Huangbai | 35.412 | 0.815 |
MOL002670 | Cavidine | Huangbai | 35.642 | 0.805 |
MOL000790 | Isocorypalmine | Huangbai | 35.768 | 0.592 |
MOL002641 | Phellavin_qt | Huangbai | 35.860 | 0.442 |
MOL002673 | Hispidone | Huangbai | 36.181 | 0.830 |
MOL002656 | Dihydroniloticin | Huangbai | 36.426 | 0.815 |
MOL006392 | Dihydroniloticin | Huangbai | 36.426 | 0.815 |
MOL000358 | Beta-sitosterol | Huangbai, Machixian, Baishao | 36.914 | 0.751 |
MOL001771 | Poriferast-5-en-3beta-ol | Huangbai | 36.914 | 0.750 |
MOL002643 | Delta 7-stigmastenol | Huangbai | 37.423 | 0.751 |
MOL005438 | Campesterol | Huangbai | 37.577 | 0.715 |
MOL002672 | Hericenone H | Huangbai | 38.997 | 0.634 |
MOL002663 | Skimmianin | Huangbai | 40.137 | 0.196 |
MOL002644 | Phellopterin | Huangbai | 40.186 | 0.279 |
MOL002662 | Rutaecarpine | Huangbai | 40.300 | 0.598 |
MOL006401 | Melianone | Huangbai | 40.529 | 0.778 |
MOL002660 | Niloticin | Huangbai | 41.414 | 0.818 |
MOL002651 | Dehydrotanshinone II A | Huangbai | 43.762 | 0.400 |
MOL000449 | Stigmasterol | Huangbai, Dangshen | 43.830 | 0.757 |
MOL006422 | Thalifendine | Huangbai | 44.411 | 0.726 |
MOL001455 | (S)-Canadine | Huangbai | 53.834 | 0.775 |
MOL002652 | Delta7-Dehydrosophoramine | Huangbai | 54.450 | 0.253 |
MOL001131 | Phellamurin_qt | Huangbai | 56.597 | 0.393 |
MOL000787 | Fumarine | Huangbai | 59.263 | 0.827 |
MOL000020 | 12-senecioyl-2E,8E,10E-atractylentriol | Baizhu | 62.396 | 0.223 |
MOL000021 | 14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol | Baizhu | 60.313 | 0.305 |
MOL000022 | 14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol | Baizhu | 63.371 | 0.300 |
MOL000028 | α-Amyrin | Baizhu | 39.512 | 0.763 |
MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | Baizhu | 36.228 | 0.783 |
MOL000049 | 3β-acetoxyatractylone | Baizhu | 54.067 | 0.219 |
MOL000072 | 8β-ethoxy atractylenolide III | Baizhu | 35.951 | 0.211 |
MOL001439 | Arachidonic acid | Machixian | 45.573 | 0.204 |
MOL003578 | Cycloartenol | Machixian | 38.686 | 0.781 |
MOL002773 | Beta-carotene | Machixian | 37.184 | 0.584 |
MOL000422 | Kaempferol | Machixian, Baishao | 41.882 | 0.241 |
MOL005100 | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | Machixian, Chenpi | 47.736 | 0.272 |
MOL000006 | Luteolin | Machixian, Dangshen | 36.163 | 0.246 |
MOL006657 | Isobetanidin | Machixian | 59.731 | 0.521 |
MOL006662 | Isobetanin_qt | Machixian | 30.162 | 0.521 |
MOL000359 | Sitosterol | Chenpi, Baishao | 36.914 | 0.751 |
MOL004328 | Naringenin | Chenpi | 59.294 | 0.211 |
MOL005815 | Citromitin | Chenpi | 86.904 | 0.514 |
MOL005828 | Nobiletin | Chenpi | 61.669 | 0.517 |
MOL001006 | Poriferasta-7,22E-dien-3beta-ol | Dangshen | 42.979 | 0.756 |
MOL002140 | Perlolyrine | Dangshen | 65.948 | 0.275 |
MOL002879 | Diop | Dangshen | 43.593 | 0.392 |
MOL003036 | ZINC03978781 | Dangshen | 43.830 | 0.756 |
MOL003896 | 7-Methoxy-2-methyl isoflavone | Dangshen | 42.565 | 0.199 |
MOL004355 | Spinasterol | Dangshen | 42.979 | 0.755 |
MOL004492 | Chrysanthemaxanthin | Dangshen | 38.724 | 0.584 |
MOL005321 | Frutinone A | Dangshen | 65.904 | 0.342 |
MOL006554 | Taraxerol | Dangshen | 38.403 | 0.767 |
MOL006774 | Stigmast-7-enol | Dangshen | 37.423 | 0.751 |
MOL007059 | 3-beta-Hydroxymethyllenetanshiquinone | Dangshen | 32.161 | 0.409 |
MOL007514 | Methyl icosa-11,14-dienoate | Dangshen | 39.667 | 0.229 |
MOL008391 | 5alpha-Stigmastan-3,6-dione | Dangshen | 33.115 | 0.790 |
MOL008393 | 7-(beta-Xylosyl)cephalomannine_qt | Dangshen | 38.327 | 0.286 |
MOL008397 | Daturilin | Dangshen | 50.365 | 0.768 |
MOL008400 | Glycitein | Dangshen | 50.479 | 0.238 |
MOL008406 | Spinoside A | Dangshen | 39.967 | 0.403 |
MOL008407 | (8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | Dangshen | 45.405 | 0.762 |
MOL008411 | 11-Hydroxyrankinidine | Dangshen | 40.003 | 0.662 |
MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | Baishao | 64.774 | 0.376 |
MOL001918 | Paeoniflorgenone | Baishao | 87.593 | 0.367 |
MOL001919 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione | Baishao | 43.556 | 0.533 |
MOL001921 | Lactiflorin | Baishao | 49.121 | 0.797 |
MOL001924 | Paeoniflorin | Baishao | 53.870 | 0.787 |
MOL001925 | Paeoniflorin_qt | Baishao | 68.176 | 0.395 |
MOL001928 | Albiflorin_qt | Baishao | 66.641 | 0.326 |
MOL001930 | Benzoyl paeoniflorin | Baishao | 31.274 | 0.746 |
MOL000211 | Mairin | Baishao | 55.377 | 0.776 |
MOL000492 | ( +)-catechin | Baishao | 54.826 | 0.242 |