1.
肾病Ⅲ号方7味中药中通过OB和DL预测的102个活性成分
The 102 active ingredients predicted by OB and DL in Shenbing decoction Ⅲ
| Molecular number | Compound name | OB/% | DL | Chinese medicine source |
| MOL000006 | luteolin | 36.16 | 0.25 | Radix Salviae.Schizonepetae Spica |
| 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-1 H-cyclopenta[a]phenan thren-3-ol | 36.23 | 0.78 | Hedysarum Multijugum Maxim. |
| MOL000098 | Quercetin | 46.43 | 0.28 | Sargassum.Hedysarum Multijugum Maxim.、Houttuyniae Herba |
| MOL000211 | Mairin | 55.38 | 0.78 | Hedysarum Multijugum Maxim. |
| MOL000239 | Jaranol | 50.83 | 0.29 | Hedysarum Multijugum Maxim. |
| MOL000296 | Hederagenin | 36.91 | 0.75 | Hedysarum Multijugum Maxim. |
| MOL000354 | Isorhamnetin | 49.60 | 0.31 | Hedysarum Multijugum Maxim. |
| MOL000359 | Sitosterol | 36.91 | 0.75 | Schizonepetae Spica, Rehmanniae Radix Praeparata |
| MOL000371 | 3, 9-di-O-methylnissolin | 53.74 | 0.48 | Hedysarum Multijugum Maxim. |
| MOL000374 | 5, -hydroxyiso-muronulatol-2, ，5, -di-O-glucoside | 41.72 | 0.69 | Hedysarum Multijugum Maxim. |
| MOL000378 | 7-O-methylisomucronulatol | 74.69 | 0.30 | Hedysarum Multijugum Maxim. |
| MOL000379 | 9，10-dimethoxypterocarpan-3-O-p-D-glucoside | 36.74 | 0.92 | Hedysarum Multijugum Maxim. |
| MOL000380 | (6aR，11 aR)-9, 10-dimethoxy-6a，11 a-dihydro-6H- benzofurano[3, 2-c]chromen-3-ol | 64.26 | 0.42 | Hedysarum Multijugum Maxim. |
| MOL000387 | Bifendate | 31.10 | 0.67 | Hedysarum Multijugum Maxim. |
| MOL000392 | Formononetin | 69.67 | 0.21 | Hedysarum Multijugum Maxim. |
| MOL000398 | Isoflavanone | 109.99 | 0.30 | Hedysarum Multijugum Maxim. |
| MOL000417 | Calycosin | 47.75 | 0.24 | Hedysarum Multijugum Maxim. |
| MOL000422 | Kaempferol | 41.88 | 0.24 | Hedysarum Multijugum Maxim..Houttuyniae Herba |
| MOL000433 | FA | 68.96 | 0.71 | Hedysarum Multijugum Maxim. |
| MOL000438 | (3R)-3-(2-hydroxy-3, 4-dimethoxyphenyl)chroman- 7-ol | 67.67 | 0.26 | Hedysarum Multijugum Maxim. |
| MOL000439 | isomucronulatol-7, 2，-di-O-glucosiole | 49.28 | 0.62 | Hedysarum Multijugum Maxim. |
| MOL000442 | 1，7-Dihydroxy-3, 9-dimethoxy pterocarpene | 39.05 | 0.48 | Hedysarum Multijugum Maxim. |
| MOL000449 | Stigmasterol | 43.83 | 0.76 | Schizonepetae Spica Rehmanniae Radix Praeparata |
| MOL000569 | Digallate | 61.85 | 0.26 | Radix Salviae |
| MOL001601 | 1，2, 5, 6-tetrahydrotanshinone | 38.75 | 0.36 | Radix Salviae |
| MOL001659 | Poriferasterol | 43.83 | 0.76 | Radix Salviae |
| MOL001689 | Acacetin | 34.97 | 0.24 | Schizonepetae Spica |
| MOL001771 | poriferast-5-en-3beta-ol | 36.91 | 0.75 | Radix Salviae |
| MOL001942 | Isoimperatorin | 45.46 | 0.23 | Radix Salviae |
| MOL002222 | Sugiol | 36.11 | 0.28 | Radix Salviae |
| MOL002341 | Hesperetin | 70.31 | 0.27 | Schizonepetae Spica |
| MOL002372 | (6Z，10E，14E，18E)-2, 6，10，15，19, 23- hexamethyltetracosa-2，6，10，14，18，22-hexaene | 33.55 | 0.42 | Schizonepetae Spica |
| MOL002651 | Dehydrotanshinone ⅡA | 43.76 | 0.40 | Radix Salviae |
| MOL002776 | Baicalin | 40.12 | 0.75 | Radix Salviae |
| MOL003851 | Isoramanone | 39.97 | 0.51 | Houttuyniae Herba |
| Molecular number | Compound name | OB/% | DL | Chinese medicine source |
| MOL004345 | 1-methyl-2-nonacosyl-4-quinolone | 31.54 | 0.50 | Houttuyniae Herba |
| MOL004350 | Ruvoside qt | 36.12 | 0.76 | Houttuyniae Herba |
| MOL004351 | C09747 | 37.28 | 0.25 | Houttuyniae Herba |
| MOL004355 | Spinasterol | 42.98 | 0.76 | Houttuyniae Herba |
| MOL005440 | Isofucosterol | 43.78 | 0.76 | Sargassum |
| MOL005842 | Pectolinarigenin | 41.17 | 0.30 | Schizonepetae Spica |
| MOL006824 | a-amyrin | 39.51 | 0.76 | Radix Salviae |
| MOL007036 | 5, 6-dihydroxy-7-isopropyl-1, 1-dimethyl-2, 3- dihydrophenanthren-4-one | 33.77 | 0.29 | Radix Salviae |
| MOL007041 | 2-isopropyl-8-methylphenanthrene-3, 4-dione | 40.86 | 0.23 | Radix Salviae |
| MOL007045 | 3 a-hydroxytanshinoneIIa | 44.93 | 0.44 | Radix Salviae |
| MOL007048 | (E)-3-[2-(3, 4-dihydroxyphenyl)-7-hydroxy- benzofuran-4-yl]acrylic acid | 48.24 | 0.31 | Radix Salviae |
| MOL007049 | 4-methylenemiltirone | 34.35 | 0.23 | Radix Salviae |
| MOL007050 | 2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7 -methoxy-3-benzofurancarboxaldehyde | 62.78 | 0.40 | Radix Salviae |
| MOL007051 | 6-o-syringyl-8-o-acetyl shanzhiside methyl ester | 46.69 | 0.71 | Radix Salviae |
| MOL007058 | formyltanshinone | 73.44 | 0.42 | Radix Salviae |
| MOL007059 | 3-beta-Hydroxymethyllenetanshiquinone | 32.16 | 0.41 | Radix Salviae |
| MOL007061 | Methylenetanshinquinone | 37.07 | 0.36 | Radix Salviae |
| MOL007063 | Przewalskin a | 37.11 | 0.65 | Radix Salviae |
| MOL007064 | Przewalskin b | 110.32 | 0.44 | Radix Salviae |
| MOL007068 | Przewaquinone B | 62.24 | 0.41 | Radix Salviae |
| MOL007069 | Przewaquinone c | 55.74 | 0.40 | Radix Salviae |
| MOL007070 | (6S, 7R)-6, 7-dihydroxy-1, 6-dimethyl-8, 9-dihydro-7H- naphtho[8, 7-g]benzofuran-10, 11-dione | 41.31 | 0.45 | Radix Salviae |
| MOL007071 | Przewaquinone f | 40.31 | 0.46 | Radix Salviae |
| MOL007077 | Sclareol | 43.67 | 0.21 | Radix Salviae |
| MOL007079 | Tanshinaldehyde | 52.47 | 0.45 | Radix Salviae |
| MOL007081 | Danshenol B | 57.95 | 0.56 | Radix Salviae |
| MOL007082 | Danshenol A | 56.97 | 0.52 | Radix Salviae |
| MOL007085 | Salvilenone | 30.38 | 0.38 | Radix Salviae |
| MOL007088 | Cryptotanshinone | 52.34 | 0.40 | Radix Salviae |
| MOL007093 | Dan-shexinkum d | 38.88 | 0.55 | Radix Salviae |
| MOL007094 | Danshenspiroketallactone | 50.43 | 0.31 | Radix Salviae |
| MOL007098 | Deoxyneocryptotanshinone | 49.40 | 0.29 | Radix Salviae |
| MOL007100 | Dihydrotanshinlactone | 38.68 | 0.32 | Radix Salviae |
| MOL007101 | Dihydrotanshinone Ⅰ | 45.04 | 0.36 | Radix Salviae |
| MOL007105 | Epidanshenspiroketallactone | 68.27 | 0.31 | Radix Salviae |
| MOL007107 | C09092 | 36.07 | 0.25 | Radix Salviae |
| MOL007108 | Isocryptotanshi-none | 54.98 | 0.39 | Radix Salviae |
| MOL007111 | Isotanshinone Ⅱ | 49.92 | 0.40 | Radix Salviae |
| MOL007115 | Manool | 45.04 | 0.20 | Radix Salviae |
| MOL007118 | Microstegiol | 39.61 | 0.28 | Radix Salviae |
| MOL007119 | Miltionone Ⅰ | 49.68 | 0.32 | Radix Salviae |
| MOL007120 | Miltionone Ⅱ | 71.03 | 0.44 | Radix Salviae |
| Molecular number | Compound name | OB/% | DL | Chinese medicine source |
| MOL007121 | Miltipolone | 36.56 | 0.37 | Radix Salviae |
| MOL007122 | Miltirone | 38.76 | 0.25 | Radix Salviae |
| MOL007123 | Miltirone Ⅱ | 44.95 | 0.24 | Radix Salviae |
| MOL007124 | Neocryptotanshinone ii | 39.46 | 0.23 | Radix Salviae |
| MOL007125 | Neocryptotanshinone | 52.49 | 0.32 | Radix Salviae |
| MOL007127 | 1-methyl-8, 9-dihydro-7H-naphtho[5, 6-g]benzofuran-6, 10, 11- trione | 34.72 | 0.37 | Radix Salviae |
| MOL007130 | Prolithospermic acid | 64.37 | 0.31 | Radix Salviae |
| MOL007132 | (2R)-3-(3, 4- dihydroxyphenyl)- 2- [(Z)- 3-(3, 4-dihydroxyphe-nyl)acryloyl]oxy- propionic acid | 109.38 | 0.35 | Radix Salviae |
| MOL007140 | (Z)-3-[2- [(E)-2-(3, 4-dihydroxyphenyl)vinyl]-3, 4-dihydroxy-phenyl]acrylic acid | 88.54 | 0.26 | Radix Salviae |
| MOL007141 | Salvianolic acid g | 45.56 | 0.61 | Radix Salviae |
| MOL007142 | Salvianolic acidj | 43.38 | 0.72 | Radix Salviae |
| MOL007143 | Salvilenone Ⅰ | 32.43 | 0.23 | Radix Salviae |
| MOL007145 | Salviolone | 31.72 | 0.24 | Radix Salviae |
| MOL007149 | NSC 122421 | 34.49 | 0.28 | Radix Salviae |
| MOL007150 | (6S)-6-hydroxy-1-methyl-6-methylol-8, 9-dihydro-7H-naph- tho[8, 7-g] benzofuran-10, 11 -quinone | 75.39 | 0.46 | Radix Salviae |
| MOL007151 | Tanshindiol B | 42.67 | 0.45 | Radix Salviae |
| MOL007152 | Przewaquinone E | 42.85 | 0.45 | Radix Salviae |
| MOL007154 | Tanshinone iia | 49.89 | 0.40 | Radix Salviae |
| MOL007155 | (6S)-6-(hydroxymethyl)-1, 6-dimethyl-8, 9-dihydro-7H-naph- tho[8, 7-g] benzofuran-10, 11-dione | 65.26 | 0.45 | Radix Salviae |
| MOL007156 | Tanshinone Ⅵ | 45.64 | 0.30 | Radix Salviae |
| MOL010485 | EPA | 45.66 | 0.21 | Ostrea Gigas Thunberg |
| MOL010578 | N-[(1S)-1-(benzyl)-2-[[(1S)-1-(benzyl)-2-hydroxy-ethyl]ami- no]- 2-keto-ethyl]benzamide | 45.76 | 0.43 | Sargassum |
| MOL010580 | Diglycol dibenzoate | 59.22 | 0.27 | Sargassum |
| MOL010861 | Vitamin D3 | 45.66 | 0.48 | Ostrea Gigas Thunberg |
| MOL011849 | Schizonepetoside B | 31.02 | 0.28 | Schizonepetae Spica |