Background
Methods
Identification of active EXD compounds
Prediction of EXD targets and compound-target network establishment
PCOS-EXD gene network establishment
Biological function analysis
Results
OB prediction and DL calculation
Compound | Herb | Chemical | OB | DL | Degree |
---|---|---|---|---|---|
C01 | CR01 | ZINC03982454 | 36.91 | 0.76 | 2 |
C02 | CR02 | Cycloartenol | 38.69 | 0.78 | 1 |
C03 | CR03 MO13 AS01 PC14 | Beta-sitosterol | 36.91 | 0.75 | 38 |
C04 | CR04 | 3,2′,4′,6′-Tetrahydroxy-4,3′-dimethoxy chalcone | 52.69 | 0.28 | 11 |
C05 | CR05 | Curculigoside B_qt | 83.36 | 0.19 | 5 |
C06 | CR06 AS02 AR07 PC10 | Stigmasterol | 43.83 | 0.76 | 31 |
C07 | EH01 | 24-Epicampesterol | 37.58 | 0.71 | 2 |
C08 | EH02 | Linoleyl acetate | 42.1 | 0.2 | 4 |
C09 | EH03 PC22 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 | 2 |
C10 | EH04 | DFV | 32.76 | 0.18 | 11 |
C11 | EH05 | Chryseriol | 35.85 | 0.27 | 18 |
C12 | EH06 MO12 | Sitosterol | 36.91 | 0.75 | 3 |
C13 | EH07 AR02 | Kaempferol | 41.88 | 0.24 | 63 |
C14 | EH08 | Olivil | 62.23 | 0.41 | 4 |
C15 | EH09 AR03 | Anhydroicaritin | 45.41 | 0.44 | 37 |
C16 | EH10 | C-Homoerythrinan,1,6-didehydro-3,15,16-trimethoxy-,(3.beta.)- | 39.14 | 0.49 | 38 |
C17 | EH11 | Yinyanghuo A | 56.96 | 0.77 | 9 |
C18 | EH12 | Yinyanghuo C | 45.67 | 0.5 | 11 |
C19 | EH13 | Yinyanghuo E | 51.63 | 0.55 | 11 |
C20 | EH14 | 6-Hydroxy-11,12-dimethoxy-2,2-dimethyl-1,8-dioxo-2,3,4,8-tetrahydro-1H-isochromeno[3,4-h]isoquinolin-2-ium | 60.64 | 0.66 | 6 |
C21 | EH15 | 8-(3-Methylbut-2-enyl)-2-phenyl-chromone | 48.54 | 0.25 | 30 |
C22 | EH16 | Anhydroicaritin-3-O-alpha-L-rhamnoside | 41.58 | 0.61 | 1 |
C23 | EH17 | 1,2-bis(4-Hydroxy-3-methoxyphenyl)propan-1,3-diol | 52.31 | 0.22 | 11 |
C24 | EH18 | Icariin | 41.58 | 0.61 | 1 |
C25 | EH19 | Icariside A7 | 31.91 | 0.86 | 3 |
C26 | EH20 | Luteolin | 36.16 | 0.25 | 57 |
C27 | EH21 PC15 | Magnograndiolide | 63.71 | 0.19 | 4 |
C28 | EH22 PC19 | Quercetin | 46.43 | 0.28 | 153 |
C29 | MO01 | Ethyl oleate (NF) | 32.4 | 0.19 | 1 |
C30 | MO02 | Alizarin-2-methylether | 32.81 | 0.21 | 13 |
C31 | MO03 | 1-Hydroxy-6-hydroxymethylanthracenequinone | 81.77 | 0.21 | 12 |
C32 | MO04 | (2R,3S)-(+)-3′,5-Dihydroxy-4,7-dimethoxydihydroflavonol | 77.24 | 0.33 | 9 |
C33 | MO05 | 1,6-Dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone | 104.54 | 0.34 | 12 |
C34 | MO06 | Americanin A | 46.71 | 0.35 | 11 |
C35 | MO07 | 2-Hydroxy-1,8-dimethoxy-7-methoxymethylanthracenequinone | 112.3 | 0.37 | 11 |
C36 | MO08 | 2-Hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-anthraquinone | 95.85 | 0.37 | 14 |
C37 | MO09 | 1,5,7-Trihydroxy-6-methoxy-2-methoxymethylanthracenequinone | 80.42 | 0.38 | 10 |
C38 | MO10 | Diop | 43.59 | 0.39 | 3 |
C39 | MO11 | 3beta,20(R),5-alkenyl-stigmastol | 36.91 | 0.75 | 1 |
C40 | MO14 | Isoprincepin | 49.12 | 0.77 | 2 |
C41 | MO15 | 3beta-24S(R)-butyl-5-alkenyl-cholestol | 35.35 | 0.82 | 1 |
C42 | MO16 | Ohioensin-A | 38.13 | 0.76 | 3 |
C43 | AR01 | Asperglaucide | 58.02 | 0.52 | 5 |
C44 | AR04 | Anemarsaponin F_qt | 60.06 | 0.79 | 1 |
C45 | AR05 | Hippeastrine | 51.65 | 0.62 | 11 |
C46 | AR06 | Timosaponin B III_qt | 35.26 | 0.87 | 2 |
C47 | AR08 | Icariin I | 41.58 | 0.61 | 1 |
C48 | AR09 | (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide | 118.35 | 0.26 | 8 |
C49 | AR10 | Diosgenin | 80.88 | 0.81 | 16 |
C50 | AR11 | Coumaroyltyramine | 112.9 | 0.2 | 10 |
C51 | PC01 | Berberine | 36.86 | 0.78 | 17 |
C52 | PC02 | Coptisine | 30.67 | 0.86 | 9 |
C53 | PC03 | Phellavin_qt | 35.86 | 0.44 | 3 |
C54 | PC04 | Delta 7-stigmastenol | 37.42 | 0.75 | 1 |
C55 | PC05 | Phellopterin | 40.19 | 0.28 | 12 |
C56 | PC06 | Dehydrotanshinone II A | 43.76 | 0.4 | 21 |
C57 | PC07 | Rutaecarpine | 40.3 | 0.6 | 18 |
C58 | PC08 | Skimmianin | 40.14 | 0.2 | 5 |
C59 | PC09 | Chelerythrine | 34.18 | 0.78 | 6 |
C60 | PC11 | Worenine | 45.83 | 0.87 | 7 |
C61 | PC12 | Cavidine | 35.64 | 0.81 | 28 |
C62 | PC13 | Hericenone H | 39 | 0.63 | 1 |
C63 | PC16 | Palmatine | 64.6 | 0.65 | 19 |
C64 | PC17 | Fumarine | 59.26 | 0.83 | 28 |
C65 | PC18 | Isocorypalmine | 35.77 | 0.59 | 36 |
C66 | PC20 | Phellamurin_qt | 56.6 | 0.39 | 10 |
C67 | PC21 | (S)-Canadine | 53.83 | 0.77 | 32 |
C68 | PC23 | Berberrubine | 35.74 | 0.73 | 13 |
C69 | PC24 | Campesterol | 37.58 | 0.71 | 1 |
C70 | PC25 | Thalifendine | 44.41 | 0.73 | 14 |