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. 2021 Feb 4;11:589175. doi: 10.3389/fphar.2020.589175

TABLE 1.

Compounds in HLJDT with oral bioavailability (OB) larger than 30% and drug-likeness (DL) larger than 0.18.

Comp Herbal compound OB% DL Herb Comp Herbal compound OB% DL Herb
1 Fumarine 59.26 0.83 CP1 31 Berberine 36.86 0.78 RC6
2 Cavidine 35.64 0.81 CP2 32 (R)-canadine 55.37 0.77 RC7
3 Chelerythrine 34.18 0.78 CP3 33 Berberrubine 35.74 0.73 RC8
4 (S)-canadine 53.83 0.77 CP4 34 Palmatine 64.6 0.65 RC9
5 Delta 7-stigmastenol 37.42 0.75 CP5 35 Sitosterol 36.91 0.75 RS1
6 Poriferast-5-en-3beta-ol 36.91 0.75 CP6 36 5,7,2,5-Tetrahydroxy-8,6-dimethoxyflavone 33.82 0.45 RS2
7 Beta-sitosterol 36.91 0.75 CP7 37 NEOBAICALEIN 104.34 0.44 RS3
8 Thalifendine 44.41 0.73 CP8 38 Skullcapflavone II 69.51 0.44 RS4
9 Campesterol 37.58 0.71 CP9 39 Diop 43.59 0.39 RS5
10 Rutaecarpine 40.3 0.6 CP10 40 Rivularin 37.94 0.37 RS6
11 Isocorypalmine 35.77 0.59 CP11 41 5,2′-dihydroxy-6,7,8-trimethoxyflavone 31.71 0.35 RS7
12 Phellavin_qt 35.86 0.44 CP12 42 Salvigenin 49.07 0.33 RS8
13 Dehydrotanshinone II A 43.76 0.4 CP13 43 5,2′,6′-trihydroxy-7,8-dimethoxyflavone 45.05 0.33 RS9
14 phellamurin_qt 56.6 0.39 CP14 44 Pangolin 76.26 0.29 RS10
15 Phellopterin 40.19 0.28 CP15 45 5,7,4′-trihydroxy-6-methoxyflavanone 36.63 0.27 RS11
16 Stigmasterol 43.83 0.76 FG1 46 5,7,4′-trihydroxy-8-methoxyflavone 36.56 0.27 RS12
17 Sudan III 84.07 0.59 FG2 47 5,7,4′-trihydroxy-8-methoxyflavanone 74.24 0.26 RS13
18 5-Hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromone 51.96 0.41 FG3 48 Moslosooflavone 44.09 0.25 RS14
19 3-Methylkempferol 60.16 0.26 FG4 49 Ent-epicatechin 48.96 0.24 RS15
20 Crocetin 35.3 0.26 FG5 50 Eriodyctiol (flavanone) 41.35 0.24 RS16
21 Kaempferol 41.88 0.24 FG6 51 Carthamidin 41.15 0.24 RS17
22 Ammidin 34.55 0.22 FG7 52 5,7,2′,6′-tetrahydroxyflavone 37.01 0.24 RS18
23 Mandenol 42 0.19 FG8 53 Acacetin 34.97 0.24 RS19
24 Worenine 45.83 0.87 RC1 54 DIHYDROOROXYLIN 66.06 0.23 RS20
25 Quercetin 46.43 0.28 RC10 55 Oroxylin a 41.37 0.23 RS21
26 Coptisine 30.67 0.86 RC2 56 Wogonin 30.68 0.23 RS22
27 Berlambine 36.68 0.82 RC3 57 Dihydrobaicalin_qt 40.04 0.21 RS23
28 CorchorosideA_qt 104.95 0.78 RC4 58 Norwogonin 39.4 0.21 RS24
29 Epiberberine 43.09 0.78 RC5 59 Baicalein 33.52 0.21 RS25
30 Fumarine 59.26 0.83 CP1