Table 1.
Detailed information on 106 active compounds from RSRN.
| Mol ID | Components | OB% | DL | Herbs |
|---|---|---|---|---|
| MOL001506 | Supraene | 33.6 | 0.42 | Ba ji tian |
| MOL002879 | Diop | 43.6 | 0.39 | Ba ji tian |
| MOL002883 | Ethyl oleate (NF) | 32.4 | 0.19 | Ba ji tian |
| MOL000358 | Beta-sitosterol | 36.9 | 0.75 | Ba ji tian |
| MOL000359 | Sitosterol | 36.9 | 0.75 | Ba ji tian |
| MOL006147 | Alizarin-2-methylether | 32.8 | 0.21 | Ba ji tian |
| MOL009495 | 2-Hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-anthraquinone | 95.9 | 0.37 | Ba ji tian |
| MOL009496 | 1,5,7-Trihydroxy-6-methoxy-2-methoxymethylanthracenequinone | 80.4 | 0.38 | Ba ji tian |
| MOL009500 | 1,6-Dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone | 105 | 0.34 | Ba ji tian |
| MOL009503 | 1-Hydroxy-3-methoxy-9,10-anthraquinone | 104 | 0.21 | Ba ji tian |
| MOL009504 | 1-Hydroxy-6-hydroxymethylanthracenequinone | 81.8 | 0.21 | Ba ji tian |
| MOL009513 | 2-Hydroxy-1,8-dimethoxy-7-methoxymethylanthracenequinone | 112 | 0.37 | Ba ji tian |
| MOL009519 | (2R,3S) -(+)-3′,5-dihydroxy-4,7-dimethoxydihydroflavonol | 77.2 | 0.33 | Ba ji tian |
| MOL009524 | 3beta,20(R),5-alkenyl-stigmastol | 36.9 | 0.75 | Ba ji tian |
| MOL009525 | 3beta-24S(R)-butyl-5-alkenyl-cholestol | 35.4 | 0.82 | Ba ji tian |
| MOL009537 | Americanin A | 46.7 | 0.35 | Ba ji tian |
| MOL009541 | Asperuloside tetraacetate | 45.5 | 0.82 | Ba ji tian |
| MOL009551 | Isoprincepin | 49.1 | 0.77 | Ba ji tian |
| MOL009558 | 2-Hydroxyethyl 5-hydroxy-2-(2-hydroxybenzoyl)-4-(hydroxymethyl)benzoate | 62.3 | 0.26 | Ba ji tian |
| MOL009562 | Ohioensin-A | 38.1 | 0.76 | Ba ji tian |
| MOL000358 | Beta-sitosterol | 36.9 | 0.75 | Dang gui |
| MOL000449 | Stigmasterol | 43.8 | 0.76 | Dang gui |
| MOL001454 | Berberine | 36.9 | 0.78 | Huang bo |
| MOL001458 | Coptisine | 30.7 | 0.86 | Huang bo |
| MOL002636 | Kihadalactone A | 34.2 | 0.82 | Huang bo |
| MOL013352 | Obacunone | 43.3 | 0.77 | Huang bo |
| MOL002641 | Phellavin_qt | 35.9 | 0.44 | Huang bo |
| MOL002643 | Delta 7-stigmastenol | 37.4 | 0.75 | Huang bo |
| MOL002644 | Phellopterin | 40.2 | 0.28 | Huang bo |
| MOL002651 | Dehydrotanshinone II A | 43.8 | 0.4 | Huang bo |
| MOL002652 | delta7-dehydrosophoramine | 54.5 | 0.25 | Huang bo |
| MOL002656 | Dihydroniloticin | 36.4 | 0.81 | Huang bo |
| MOL002659 | Kihadanin A | 31.6 | 0.7 | Huang bo |
| MOL002660 | Niloticin | 41.4 | 0.82 | Huang bo |
| MOL002662 | Rutaecarpine | 40.3 | 0.6 | Huang bo |
| MOL002663 | Skimmianin | 40.1 | 0.2 | Huang bo |
| MOL002666 | Chelerythrine | 34.2 | 0.78 | Huang bo |
| MOL000449 | Stigmasterol | 43.8 | 0.76 | Huang bo |
| MOL002668 | Worenine | 45.8 | 0.87 | Huang bo |
| MOL002670 | Cavidine | 35.6 | 0.81 | Huang bo |
| MOL002671 | Candletoxin A | 31.8 | 0.69 | Huang bo |
| MOL002672 | Hericenone H | 39 | 0.63 | Huang bo |
| MOL002673 | Hispidone | 36.2 | 0.83 | Huang bo |
| MOL000358 | Beta-sitosterol | 36.9 | 0.75 | Huang bo |
| MOL000622 | Magnograndiolide | 63.7 | 0.19 | Huang bo |
| MOL000762 | Palmidin A | 35.4 | 0.65 | Huang bo |
| MOL000785 | Palmatine | 64.6 | 0.65 | Huang bo |
| MOL000787 | Fumarine | 59.3 | 0.83 | Huang bo |
| MOL000790 | Isocorypalmine | 35.8 | 0.59 | Huang bo |
| MOL000098 | Quercetin | 46.4 | 0.28 | Huang bo |
| MOL001131 | Phellamurin_qt | 56.6 | 0.39 | Huang bo |
| MOL001455 | (S)-canadine | 53.8 | 0.77 | Huang bo |
| MOL001771 | Poriferast-5-en-3beta-ol | 36.9 | 0.75 | Huang bo |
| MOL001601 | 1,2,5,6-Tetrahydrotanshinone | 38.75 | 0.36 | Dan shen |
| MOL001659 | Poriferasterol | 43.83 | 0.76 | Dan shen |
| MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 | Dan shen |
| MOL001942 | Isoimperatorin | 45.46 | 0.23 | Dan shen |
| MOL002222 | Sugiol | 36.11 | 0.28 | Dan shen |
| MOL002651 | Dehydrotanshinone II A | 43.76 | 0.4 | Dan shen |
| MOL002776 | Baicalin | 40.12 | 0.75 | Dan shen |
| MOL000569 | Digallate | 61.85 | 0.26 | Dan shen |
| MOL000006 | Luteolin | 36.16 | 0.25 | Dan shen |
| MOL006824 | α-Amyrin | 39.51 | 0.76 | Dan shen |
| MOL007036 | 5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-2,3-dihydrophenanthren-4-one | 33.77 | 0.29 | Dan shen |
| MOL007041 | 2-Isopropyl-8-methylphenanthrene-3,4-dione | 40.86 | 0.23 | Dan shen |
| MOL007045 | 3α-Hydroxytanshinone?a | 44.93 | 0.44 | Dan shen |
| MOL007048 | (E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid | 48.24 | 0.31 | Dan shen |
| MOL007049 | 4-Methylenemiltirone | 34.35 | 0.23 | Dan shen |
| MOL007050 | 2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde | 62.78 | 0.4 | Dan shen |
| MOL007051 | 6-o-Syringyl-8-o-acetyl shanzhiside methyl ester | 46.69 | 0.71 | Dan shen |
| MOL007058 | Formyltanshinone | 73.44 | 0.42 | Dan shen |
| MOL007059 | 3-Beta-hydroxymethyllenetanshiquinone | 32.16 | 0.41 | Dan shen |
| MOL007061 | Methylenetanshinquinone | 37.07 | 0.36 | Dan shen |
| MOL007063 | Przewalskin a | 37.11 | 0.65 | Dan shen |
| MOL007064 | Przewalskin b | 110.32 | 0.44 | Dan shen |
| MOL007068 | Przewaquinone B | 62.24 | 0.41 | Dan shen |
| MOL007069 | Przewaquinone c | 55.74 | 0.4 | Dan shen |
| MOL007070 | (6S,7 R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7h-naphtho[8,7-g] benzofuran-10,11-dione | 41.31 | 0.45 | Dan shen |
| MOL007071 | Przewaquinone f | 40.31 | 0.46 | Dan shen |
| MOL007077 | Sclareol | 43.67 | 0.21 | Dan shen |
| MOL007079 | Tanshinaldehyde | 52.47 | 0.45 | Dan shen |
| MOL007081 | Danshenol B | 57.95 | 0.56 | Dan shen |
| MOL007082 | Danshenol A | 56.97 | 0.52 | Dan shen |
| MOL007085 | Salvilenone | 30.38 | 0.38 | Dan shen |
| MOL007088 | Cryptotanshinone | 52.34 | 0.4 | Dan shen |
| MOL007093 | Dan-shexinkum d | 38.88 | 0.55 | Dan shen |
| MOL007094 | Danshenspiroketallactone | 50.43 | 0.31 | Dan shen |
| MOL007098 | Deoxyneocryptotanshinone | 49.4 | 0.29 | Dan shen |
| MOL007100 | Dihydrotanshinlactone | 38.68 | 0.32 | Dan shen |
| MOL007101 | Dihydrotanshinone I | 45.04 | 0.36 | Dan shen |
| MOL007105 | Epidanshenspiroketallactone | 68.27 | 0.31 | Dan shen |
| MOL002331 | N-Methylflindersine | 32.4 | 0.18 | Huang bo |
| MOL002894 | Berberrubine | 35.7 | 0.73 | Huang bo |
| MOL005438 | Campesterol | 37.6 | 0.71 | Huang bo |
| MOL006392 | Dihydroniloticin | 36.4 | 0.82 | Huang bo |
| MOL006401 | Melianone | 40.5 | 0.78 | Huang bo |
| MOL006413 | Phellochin | 35.4 | 0.82 | Huang bo |
| MOL006422 | Thalifendine | 44.4 | 0.73 | Huang bo |
| MOL001607 | ZINC03982454 | 36.9 | 0.76 | Xian Mao |
| MOL003578 | Cycloartenol | 38.7 | 0.78 | Xian Mao |
| MOL000358 | Beta-sitosterol | 36.9 | 0.75 | Xian Mao |
| MOL004114 | 3,2′,4′,6′-tetrahydroxy-4,3′-dimethoxy chalcone | 52.7 | 0.28 | Xian Mao |
| MOL004125 | Curculigoside B_qt | 83.4 | 0.19 | Xian Mao |
| MOL004146 | Curculigosaponin C | 39.3 | 0.19 | Xian Mao |
| MOL000449 | Stigmasterol | 43.8 | 0.76 | Xian Mao |
| MOL001510 | 24-Epicampesterol | 37.6 | 0.71 | Xian Mao |
| MOL001645 | Linoleyl acetate | 42.1 | 0.2 | Yin yang huo |
| MOL001771 | Poriferast-5-en-3beta-ol | 36.9 | 0.75 | Yin yang huo |
| MOL001792 | DFV | 32.8 | 0.18 | Yin yang huo |
| MOL003044 | Chryseriol | 35.9 | 0.27 | Yin yang huo |
| MOL003542 | 8-Isopentenyl-kaempferol | 38 | 0.39 | Yin yang huo |
| MOL000359 | Sitosterol | 36.9 | 0.75 | Yin yang huo |
| MOL000422 | Kaempferol | 41.9 | 0.24 | Yin yang huo |
| MOL004367 | Olivil | 62.2 | 0.41 | Yin yang huo |
| MOL004373 | Anhydroicaritin | 45.4 | 0.44 | Yin yang huo |
| MOL004380 | C-Homoerythrinan,1,6-didehydro-3,15,16-trimethoxy-, (3. Beta)- | 39.1 | 0.49 | Yin yang huo |
| MOL004382 | Yin yang huo A | 57 | 0.77 | Yin yang huo |
| MOL004384 | Yin yang huo C | 45.7 | 0.5 | Yin yang huo |
| MOL004386 | Yin yang huo E | 51.6 | 0.55 | Yin yang huo |
| MOL004388 | 6-Hydroxy-11,12-dimethoxy-2,2-dimethyl-1,8-dioxo-2,3,4,8-tetrahydro-1h-isochromeno[3,4-h] isoquinolin-2-ium | 60.6 | 0.66 | Yin yang huo |
| MOL004391 | 8-(3-Methylbut-2-enyl)-2-phenyl-chromone | 48.5 | 0.25 | Yin yang huo |
| MOL004394 | Anhydroicaritin-3-O-alpha-L-rhamnoside | 41.6 | 0.61 | Yin yang huo |
| MOL004396 | 1,2-bis(4-hydroxy-3-methoxyphenyl) propan-1,3-diol | 52.3 | 0.22 | Yin yang huo |
| MOL004425 | Icariin | 41.6 | 0.61 | Yin yang huo |
| MOL004427 | Icariside A7 | 31.9 | 0.86 | Yin yang huo |
| MOL000006 | Luteolin | 36.2 | 0.25 | Yin yang huo |
| MOL000622 | Magnograndiolide | 63.7 | 0.19 | Yin yang huo |
| MOL000098 | Quercetin | 46.4 | 0.28 | Yin yang huo |
| MOL001677 | Asperglaucide | 58 | 0.52 | Zhi mu |
| MOL001944 | Marmesin | 50.3 | 0.18 | Zhi mu |
| MOL003773 | Mangiferolic acid | 36.2 | 0.84 | Zhi mu |
| MOL000422 | Kaempferol | 41.9 | 0.24 | Zhi mu |
| MOL004373 | Anhydroicaritin | 45.4 | 0.44 | Zhi mu |
| MOL004489 | Anemarsaponin F_qt | 60.1 | 0.79 | Zhi mu |
| MOL004492 | Chrysanthemaxanthin | 38.7 | 0.58 | Zhi mu |
| MOL004497 | Hippeastrine | 51.7 | 0.62 | Zhi mu |
| MOL004514 | Timosaponin B III_qt | 35.3 | 0.87 | Zhi mu |
| MOL000449 | Stigmasterol | 43.8 | 0.76 | Zhi mu |
| MOL004528 | Icariin I | 41.6 | 0.61 | Zhi mu |
| MOL004540 | Anemarsaponin C_qt | 35.5 | 0.87 | Zhi mu |
| MOL004542 | Anemarsaponin E_qt | 30.7 | 0.86 | Zhi mu |
| MOL000483 | (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl) ethyl] acrylamide | 118 | 0.26 | Zhi mu |
| MOL000546 | Diosgenin | 80.9 | 0.81 | Zhi mu |
| MOL000631 | Coumaroyltyramine | 113 | 0.2 | Zhi mu |
| MOL007107 | C09092 | 36.07 | 0.25 | Dan shen |
| MOL007108 | Isocryptotanshi-none | 54.98 | 0.39 | Dan shen |
| MOL007111 | Isotanshinone II | 49.92 | 0.4 | Dan shen |
| MOL007115 | Manool | 45.04 | 0.2 | Dan shen |
| MOL007118 | Microstegiol | 39.61 | 0.28 | Dan shen |
| MOL007119 | Miltionone I | 49.68 | 0.32 | Dan shen |
| MOL007120 | Miltionone II | 71.03 | 0.44 | Dan shen |
| MOL007121 | Miltipolone | 36.56 | 0.37 | Dan shen |
| MOL007122 | Miltirone | 38.76 | 0.25 | Dan shen |
| MOL007123 | Miltirone II | 44.95 | 0.24 | Dan shen |
| MOL007124 | Neocryptotanshinone ii | 39.46 | 0.23 | Dan shen |
| MOL007125 | Neocryptotanshinone | 52.49 | 0.32 | Dan shen |
| MOL007127 | 1-Methyl-8,9-dihydro-7h-naphtho[5,6-g] benzofuran-6,10,11-trione | 34.72 | 0.37 | Dan shen |
| MOL007130 | Prolithospermic acid | 64.37 | 0.31 | Dan shen |
| MOL007132 | (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl) acryloyl] oxy-propionic acid | 109.38 | 0.35 | Dan shen |
| MOL007140 | (Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl) vinyl]-3,4-dihydroxy-phenyl] acrylic acid | 88.54 | 0.26 | Dan shen |
| MOL007141 | Salvianolic acid g | 45.56 | 0.61 | Dan shen |
| MOL007142 | Salvianolic acid j | 43.38 | 0.72 | Dan shen |
| MOL007143 | Salvilenone I | 32.43 | 0.23 | Dan shen |
| MOL007145 | Salviolone | 31.72 | 0.24 | Dan shen |
| MOL007149 | NSC 122421 | 34.49 | 0.28 | Dan shen |
| MOL007150 | (6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7h-naphtho[8,7-g] benzofuran-10,11-quinone | 75.39 | 0.46 | Dan shen |
| MOL007151 | Tanshindiol B | 42.67 | 0.45 | Dan shen |
| MOL007152 | Przewaquinone E | 42.85 | 0.45 | Dan shen |
| MOL007154 | Tanshinone iia | 49.89 | 0.4 | Dan shen |
| MOL007155 | (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7h-naphtho[8,7-g] benzofuran-10,11-dione | 65.26 | 0.45 | Dan shen |
| MOL007156 | Tanshinone VI | 45.64 | 0.3 | Dan shen |
| MOL002897 | Epiberberine | 43.09 | 0.78 | Huang lian |
| MOL002903 | (R)-canadine | 55.37 | 0.77 | Huang lian |
| MOL002904 | Berlambine | 36.68 | 0.82 | Huang lian |
| MOL002907 | Corchoroside A_qt | 104.95 | 0.78 | Huang lian |
| MOL000622 | Magnograndiolide | 63.71 | 0.19 | Huang lian |
| MOL000762 | Palmidin A | 35.36 | 0.65 | Huang lian |
| MOL000785 | Palmatine | 64.6 | 0.65 | Huang lian |
| MOL000098 | Quercetin | 46.43 | 0.28 | Huang lian |
| MOL001458 | Coptisine | 30.67 | 0.86 | Huang lian |
| MOL002668 | Worenine | 45.83 | 0.87 | Huang lian |
| MOL008647 | Moupinamide | 86.71 | 0.26 | Huang lian |