|
| MOL ID | Name | MW | AlogP | Hdon | Hacc | OB | DL | Drug |
|
| MOL010788 | Leucopelargonidin | 290.29 | 1.36 | 5 | 6 | 57.97 | 0.24 | Ephedra |
| MOL002823 | Herbacetin | 302.25 | 1.5 | 5 | 7 | 36.07 | 0.27 | Ephedra |
| MOL000422 | Kaempferol | 286.25 | 1.77 | 4 | 6 | 41.88 | 0.24 | Ephedra/root of Ural licorice/European verbena herb/sweet wormwood herb/Lepidium seed |
| MOL000098 | Quercetin | 302.25 | 1.5 | 5 | 7 | 46.43 | 0.28 | Ephedra/root of Ural licorice/European verbena herb/sweet wormwood herb/Lepidium seed/patchouli/Polygonum cuspidatum |
| MOL000006 | Luteolin | 286.25 | 2.07 | 4 | 6 | 36.16 | 0.25 | Ephedra/European verbena herb/sweet wormwood herb/Polygonum cuspidatum |
| MOL000492 | (+)-Catechin | 290.29 | 1.92 | 5 | 6 | 54.83 | 0.24 | Ephedra/Polygonum cuspidatum/bitter apricot seed |
| MOL002881 | Diosmetin | 300.28 | 2.32 | 3 | 6 | 31.14 | 0.27 | Ephedra/European verbena herb |
| MOL004328 | Naringenin | 272.27 | 2.3 | 3 | 5 | 59.29 | 0.21 | Ephedra/root of Ural licorice/Pummelo Peel |
| MOL004576 | Taxifolin | 304.27 | 1.49 | 5 | 7 | 57.84 | 0.27 | Ephedra |
| MOL005190 | Eriodictyol | 288.27 | 2.03 | 4 | 6 | 71.79 | 0.24 | Ephedra |
| MOL005573 | Genkwanin | 284.28 | 2.59 | 2 | 5 | 37.13 | 0.24 | Ephedra/patchouli |
| MOL005842 | Pectolinarigenin | 314.31 | 2.57 | 2 | 6 | 41.17 | 0.3 | Ephedra |
| MOL004841 | Licochalcone B | 286.3 | 2.88 | 3 | 5 | 76.76 | 0.19 | Root of Ural licorice/bitter apricot seed |
| MOL007207 | Machiline | 285.37 | 2.83 | 3 | 4 | 79.64 | 0.24 | Bitter apricot seed |
| MOL010921 | Estrone | 270.4 | 3.77 | 1 | 2 | 53.56 | 0.32 | Bitter apricot seed |
| MOL004908 | Glabridin | 324.4 | 3.95 | 2 | 4 | 53.25 | 0.47 | Root of Ural licorice/bitter apricot seed |
| MOL012922 | l-SPD | 327.41 | 3.1 | 2 | 5 | 87.35 | 0.54 | Bitter apricot seed |
| MOL005017 | Phaseol | 336.36 | 4.87 | 2 | 5 | 78.77 | 0.58 | Bitter apricot seed |
| MOL002311 | Glycyrol | 366.39 | 4.85 | 2 | 6 | 90.78 | 0.67 | Bitter apricot seed |
| MOL004903 | Liquiritin | 418.43 | 0.66 | 5 | 9 | 65.69 | 0.74 | Root of Ural licorice/bitter apricot seed |
| MOL001323 | Sitosterol alpha1 | 426.8 | 8.15 | 1 | 1 | 43.28 | 0.78 | Seed of Job’s tears |
| MOL001494 | Mandenol | 308.56 | 6.99 | 0 | 2 | 42 | 0.19 | Seed of Job’s tears |
| MOL000359 | Sitosterol | 414.79 | 8.08 | 1 | 1 | 36.91 | 0.75 | Seed of Job’s tears |
| MOL000449 | Stigmasterol | 412.77 | 7.64 | 1 | 1 | 43.83 | 0.76 | Seed of Job’s tears/reed rhizome |
| MOL000953 | CLR | 386.73 | 7.38 | 1 | 1 | 37.87 | 0.68 | Seed of Job’s tears |
| MOL000173 | Wogonin | 284.28 | 2.59 | 2 | 5 | 30.68 | 0.23 | Rhizoma Atractylodis |
| MOL000188 | 3β-Acetoxyatractylone | 274.39 | 3.39 | 0 | 3 | 40.57 | 0.22 | Rhizoma Atractylodis |
| MOL005911 | 5-Hydroxy-7,4-dimethoxyflavanon | 300.33 | 2.8 | 1 | 5 | 51.54 | 0.27 | Patchouli |
| MOL005916 | Irisolidone | 314.31 | 2.3 | 2 | 6 | 37.78 | 0.3 | Patchouli |
| MOL005918 | Phenanthrone | 293.34 | 4.27 | 0 | 3 | 38.7 | 0.33 | Patchouli |
| MOL005921 | Quercetin 7-O-β-D-glucoside | 300.28 | 2.17 | 5 | 6 | 49.57 | 0.27 | Patchouli |
| MOL002235 | Eupatin | 360.34 | 1.99 | 3 | 8 | 50.8 | 0.41 | Sweet wormwood herb |
| MOL000354 | Isorhamnetin | 316.28 | 1.76 | 4 | 7 | 49.6 | 0.31 | Root of Ural licorice/sweet wormwood herb/Lepidium seed |
| MOL004083 | Tamarixetin | 316.28 | 1.76 | 4 | 7 | 32.86 | 0.31 | Sweet wormwood herb |
| MOL004112 | Patuletin | 332.28 | 1.49 | 5 | 8 | 53.11 | 0.34 | Sweet wormwood herb |
| MOL004609 | Areapillin | 360.34 | 2.29 | 3 | 8 | 48.96 | 0.41 | Sweet wormwood herb |
| MOL005229 | Artemetin | 388.4 | 2.31 | 1 | 8 | 49.55 | 0.48 | Sweet wormwood herb/European verbena herb |
| MOL007274 | Skrofulein | 314.31 | 2.57 | 2 | 6 | 30.35 | 0.3 | Sweet wormwood herb |
| MOL007401 | Cirsiliol | 330.31 | 2.3 | 3 | 7 | 43.46 | 0.34 | Sweet wormwood herb |
| MOL007404 | vitexin_qt | 270.25 | 1.17 | 3 | 5 | 52.18 | 0.21 | Sweet wormwood herb |
| MOL007412 | DMQT | 346.31 | 1.55 | 4 | 8 | 42.6 | 0.37 | Sweet wormwood herb |
| MOL007415 | [(2S)-2-[[(2S)-2-(Benzoylamino)-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate | 444.57 | 4.02 | 2 | 6 | 58.02 | 0.52 | Sweet wormwood herb |
| MOL007423 | 6,8-di-c-Glucosylapigenin_qt | 270.25 | 1.17 | 3 | 5 | 59.85 | 0.21 | Sweet wormwood herb |
| MOL007424 | Artemisinin | 282.37 | 3.14 | 0 | 5 | 49.88 | 0.31 | Sweet wormwood herb |
| MOL007426 | Deoxyartemisinin | 266.37 | 2.15 | 0 | 4 | 54.47 | 0.26 | Sweet wormwood herb |
| MOL013281 | 6,8-Dihydroxy-7-methoxyxanthone | 258.24 | 2.41 | 2 | 5 | 35.83 | 0.21 | Polygonum cuspidatum |
| MOL013287 | Physovenine | 262.34 | 2.08 | 1 | 5 | 106.21 | 0.19 | Polygonum cuspidatum |
| MOL013288 | Picralinal | 366.45 | 1.8 | 1 | 6 | 58.01 | 0.75 | Polygonum cuspidatum |
| MOL002268 | Rhein | 284.23 | 1.88 | 3 | 6 | 47.07 | 0.28 | Polygonum cuspidatum |
| MOL002933 | 5,7,4-Trihydroxy-8-methoxyflavone | 300.28 | 2.32 | 3 | 6 | 36.56 | 0.27 | European verbena herb |
| MOL005503 | Cornudentanone | 378.56 | 4.97 | 0 | 5 | 39.66 | 0.33 | European verbena herb |
| MOL008752 | Dihydroverticillatine | 423.55 | 3.98 | 2 | 6 | 42.69 | 0.84 | European verbena herb |
| MOL003906 | K-strophanthoside_qt | 404.55 | 1.34 | 3 | 6 | 30.8 | 0.78 | Lepidium seed |
| MOL003908 | Cynotoxin | 404.55 | 1.34 | 3 | 6 | 99.94 | 0.78 | Lepidium seed |
| MOL013277 | Isosinensetin | 372.4 | 3.06 | 0 | 7 | 51.15 | 0.44 | Pummelo Peel |
| MOL013279 | 5,7,4-Trimethylapigenin | 312.34 | 3.09 | 0 | 5 | 39.83 | 0.3 | Pummelo Peel |
| MOL001798 | neohesperidin_qt | 302.3 | 2.28 | 3 | 6 | 71.17 | 0.27 | Pummelo Peel |
| MOL001803 | Sinensetin | 372.4 | 3.06 | 0 | 7 | 50.56 | 0.45 | Pummelo Peel |
| MOL005828 | Nobiletin | 402.43 | 3.04 | 0 | 8 | 61.67 | 0.52 | Pummelo Peel |
| MOL005849 | Didymin | 286.3 | 2.55 | 2 | 5 | 38.55 | 0.24 | Pummelo Peel |
| MOL001484 | Inermine | 284.28 | 2.44 | 1 | 5 | 75.18 | 0.54 | Root of Ural licorice |
| MOL001792 | DFV | 256.27 | 2.57 | 2 | 4 | 32.76 | 0.18 | Root of Ural licorice |
| MOL000239 | Jaranol | 314.31 | 2.09 | 2 | 6 | 50.83 | 0.29 | Root of Ural licorice |
| MOL002565 | Medicarpin | 270.3 | 2.66 | 1 | 4 | 49.22 | 0.34 | Root of Ural licorice |
| MOL003656 | Lupiwighteone | 338.38 | 3.92 | 3 | 5 | 51.64 | 0.37 | Root of Ural licorice |
| MOL003896 | 7-Methoxy-2-methyl isoflavone | 266.31 | 3.36 | 0 | 3 | 42.56 | 0.2 | Root of Ural licorice |
| MOL000392 | Formononetin | 268.28 | 2.58 | 1 | 4 | 69.67 | 0.21 | Root of Ural licorice |
| MOL000417 | Calycosin | 284.28 | 2.32 | 2 | 5 | 47.75 | 0.24 | Root of Ural licorice |
| MOL004808 | Glyasperin B | 370.43 | 4.02 | 3 | 6 | 65.22 | 0.44 | Root of Ural licorice |
| MOL004810 | Glyasperin F | 354.38 | 2.97 | 3 | 6 | 75.84 | 0.54 | Root of Ural licorice |
| MOL004811 | Glyasperin C | 356.45 | 4.73 | 3 | 5 | 45.56 | 0.4 | Root of Ural licorice |
| MOL004814 | Isotrifoliol | 298.26 | 2.99 | 2 | 6 | 31.94 | 0.42 | Root of Ural licorice |
| MOL004815 | (E)-1-(2,4-Dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | 322.38 | 3.96 | 2 | 4 | 39.62 | 0.35 | Root of Ural licorice |
| MOL004820 | Kanzonol W | 336.36 | 3.63 | 2 | 5 | 50.48 | 0.52 | Root of Ural licorice |
| MOL004824 | (2S)-6-(2,4-Dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 384.41 | 2.96 | 3 | 7 | 60.25 | 0.63 | Root of Ural licorice |
| MOL004827 | Semilicoisoflavone B | 352.36 | 2.85 | 3 | 6 | 48.78 | 0.55 | Root of Ural licorice |
| MOL004828 | Glepidotin A | 338.38 | 3.9 | 3 | 5 | 44.72 | 0.35 | Root of Ural licorice |
| MOL004829 | Glepidotin B | 340.4 | 3.88 | 3 | 5 | 64.46 | 0.34 | Root of Ural licorice |
| MOL004833 | Phaseolinisoflavan | 324.4 | 3.95 | 2 | 4 | 32.01 | 0.45 | Root of Ural licorice |
| MOL004835 | Glypallichalcone | 284.33 | 3.4 | 1 | 4 | 61.6 | 0.19 | Root of Ural licorice |
| MOL004838 | 8-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 308.35 | 4.2 | 2 | 4 | 58.44 | 0.38 | Root of Ural licorice |
| MOL004848 | Licochalcone G | 354.43 | 4.35 | 3 | 5 | 49.25 | 0.32 | Root of Ural licorice |
| MOL004849 | 3-(2,4-Dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 368.41 | 4.03 | 3 | 6 | 59.62 | 0.43 | Root of Ural licorice |
| MOL004855 | Licoricone | 382.44 | 4.16 | 2 | 6 | 63.58 | 0.47 | Root of Ural licorice |
| MOL004856 | Gancaonin A | 352.41 | 4.17 | 2 | 5 | 51.08 | 0.4 | Root of Ural licorice |
| MOL004857 | Gancaonin B | 368.41 | 3.91 | 3 | 6 | 48.79 | 0.45 | Root of Ural licorice |
| MOL004863 | 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 354.38 | 3.65 | 4 | 6 | 66.37 | 0.41 | Root of Ural licorice |
| MOL004864 | 5,7-Dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | 352.41 | 4.17 | 2 | 5 | 30.49 | 0.41 | Root of Ural licorice |
| MOL004866 | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 354.38 | 3.92 | 4 | 6 | 44.15 | 0.41 | Root of Ural licorice |
| MOL004879 | Glycyrin | 382.44 | 4.67 | 2 | 6 | 52.61 | 0.47 | Root of Ural licorice |
| MOL004882 | Licocoumarone | 340.4 | 4.98 | 3 | 5 | 33.21 | 0.36 | Root of Ural licorice |
| MOL004883 | Licoisoflavone | 354.38 | 3.65 | 4 | 6 | 41.61 | 0.42 | Root of Ural licorice |
| MOL004884 | Licoisoflavone B | 352.36 | 2.85 | 3 | 6 | 38.93 | 0.55 | Root of Ural licorice |
| MOL004885 | Licoisoflavanone | 354.38 | 2.97 | 3 | 6 | 52.47 | 0.54 | Root of Ural licorice |
| MOL004891 | Shinpterocarpin | 322.38 | 3.46 | 1 | 4 | 80.3 | 0.73 | Root of Ural licorice |
| MOL004898 | (E)-3-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one | 340.4 | 4.49 | 4 | 5 | 46.27 | 0.31 | Root of Ural licorice |
| MOL004904 | Licopyranocoumarin | 384.41 | 3.04 | 3 | 7 | 80.36 | 0.65 | Root of Ural licorice |
| MOL004907 | Glyzaglabrin | 298.26 | 2.1 | 2 | 6 | 61.07 | 0.35 | Root of Ural licorice |
| MOL004910 | Glabranin | 324.4 | 4.42 | 2 | 4 | 52.9 | 0.31 | Root of Ural licorice |
| MOL004911 | Glabrene | 322.38 | 3.77 | 2 | 4 | 46.27 | 0.44 | Root of Ural licorice |
| MOL004912 | Glabrone | 336.36 | 3.12 | 2 | 5 | 52.51 | 0.5 | Root of Ural licorice |
| MOL004913 | 1,3-Dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone | 298.26 | 2.99 | 2 | 6 | 48.14 | 0.43 | Root of Ural licorice |
| MOL004914 | 1,3-Dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone | 328.29 | 2.98 | 2 | 7 | 62.9 | 0.53 | Root of Ural licorice |
| MOL004915 | Eurycarpin A | 338.38 | 3.92 | 3 | 5 | 43.28 | 0.37 | Root of Ural licorice |
| MOL004924 | (-)-Medicocarpin | 432.46 | 0.75 | 4 | 9 | 40.99 | 0.95 | Root of Ural licorice |
| MOL004935 | Sigmoidin-B | 356.4 | 3.89 | 4 | 6 | 34.88 | 0.41 | Root of Ural licorice |
| MOL004941 | (2R)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 256.27 | 2.57 | 2 | 4 | 71.12 | 0.18 | Root of Ural licorice |
| MOL004945 | (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | 324.4 | 4.42 | 2 | 4 | 36.57 | 0.32 | Root of Ural licorice |
| MOL004948 | Isoglycyrol | 366.39 | 4.36 | 1 | 6 | 44.7 | 0.84 | Root of Ural licorice |
| MOL004949 | Isolicoflavonol | 354.38 | 3.63 | 4 | 6 | 45.17 | 0.42 | Root of Ural licorice |
| MOL004957 | HMO | 268.28 | 2.58 | 1 | 4 | 38.37 | 0.21 | Root of Ural licorice |
| MOL004959 | 1-Methoxyphaseollidin | 354.43 | 4.25 | 2 | 5 | 69.98 | 0.64 | Root of Ural licorice |
| MOL004961 | Quercetin der. | 330.31 | 1.82 | 3 | 7 | 46.45 | 0.33 | Root of Ural licorice |
| MOL004966 | 3Hydroxy-4-O-methylglabridin | 354.43 | 3.93 | 2 | 5 | 43.71 | 0.57 | Root of Ural licorice |
| MOL000497 | Licochalcone A | 338.43 | 4.62 | 2 | 4 | 40.79 | 0.29 | Root of Ural licorice |
| MOL004974 | 3-Methoxyglabridin | 354.43 | 3.93 | 2 | 5 | 46.16 | 0.57 | Root of Ural licorice |
| MOL004978 | 2-[(3R)-8,8-Dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol | 338.43 | 4.2 | 1 | 4 | 36.21 | 0.52 | Root of Ural licorice |
| MOL004980 | Inflacoumarin A | 322.38 | 4.7 | 2 | 4 | 39.71 | 0.33 | Root of Ural licorice |
| MOL004989 | 6-Prenylated eriodictyol | 356.4 | 3.89 | 4 | 6 | 39.22 | 0.41 | Root of Ural licorice |
| MOL004990 | 7,2,4-Trihydroxy-5-methoxy-3-arylcoumarin | 300.28 | 2.56 | 3 | 6 | 83.71 | 0.27 | Root of Ural licorice |
| MOL004991 | 7-Acetoxy-2-methylisoflavone | 294.32 | 3.15 | 0 | 4 | 38.92 | 0.26 | Root of Ural licorice |
| MOL004993 | 8-Prenylated eriodictyol | 356.4 | 3.89 | 4 | 6 | 53.79 | 0.4 | Root of Ural licorice |
| MOL000500 | Vestitol | 272.32 | 3.15 | 2 | 4 | 74.66 | 0.21 | Root of Ural licorice |
| MOL005000 | Gancaonin G | 352.41 | 4.17 | 2 | 5 | 60.44 | 0.39 | Root of Ural licorice |
| MOL005001 | Gancaonin H | 420.49 | 4.71 | 3 | 6 | 50.1 | 0.78 | Root of Ural licorice |
| MOL005003 | Licoagrocarpin | 338.43 | 4.51 | 1 | 4 | 58.81 | 0.58 | Root of Ural licorice |
| MOL005007 | Glyasperin M | 368.41 | 3.22 | 2 | 6 | 72.67 | 0.59 | Root of Ural licorice |
| MOL005008 | Glycyrrhiza flavonol A | 370.38 | 2.17 | 4 | 7 | 41.28 | 0.6 | Root of Ural licorice |
| MOL005012 | Licoagroisoflavone | 336.36 | 3.48 | 2 | 5 | 57.28 | 0.49 | Root of Ural licorice |
| MOL005016 | Odoratin | 314.31 | 2.3 | 2 | 6 | 49.95 | 0.3 | Root of Ural licorice |
| MOL005018 | Xambioona | 388.49 | 4.68 | 0 | 4 | 54.85 | 0.87 | Root of Ural licorice |
| MOL005020 | Dehydroglyasperin C | 340.4 | 4.3 | 4 | 5 | 53.82 | 0.37 | Root of Ural licorice |
|
