Table 1. Fifty-four compounds with good intestinal absorption from PmT.
| Compound id | Compound name | Intestinal absorption level | Prediction for CYP450 | Ascore |
|---|---|---|---|---|
| 6 | 2,3,5,4′-Tetrahydroxystilbene-2-O-(6″-O-acetyl)-β-D-glucopyranoside | 2 | 1879 | |
| 7 | (E)-Resveratrol 3-xyloside | 1 | 1939 | |
| 13 | Resveratrol | 0 | 1A2_Inh/2C19_Inh | 4029 |
| 14 | Polydatin | 1 | 2051 | |
| 15 | (Z)-4′-O-Methylpiceid | 1 | 2202 | |
| 22 | Emodin | 0 | 1A2_Inh | 7773 |
| 23 | Aloe-emodin | 0 | 2392 | |
| 24 | Chrysophanol | 0 | 1A2_Inh | 2479 |
| 25 | Physcion | 0 | 1A2_Inh | 2365 |
| 26 | Rhein | 0 | 1A2_Inh | 2766 |
| 27 | 1,6-Dimethyl ether-emodin | 0 | 2200 | |
| 28 | Emodin-8-methyl ether | 0 | 1A2_Inh | 2200 |
| 29 | Citreorosein | 0 | 2200 | |
| 30 | Citreorosein-8-methyl ether | 0 | 2030 | |
| 31 | Emodin-3-methyl ether | 0 | 1A2_Inh | 1983 |
| 32 | Fallacinol | 0 | 2067 | |
| 33 | Emodin-6,8-dimethylether | 0 | 2105 | |
| 34 | 2-Acetylemodin | 0 | 1A2_Inh | 2176 |
| 42 | 2-Methoxy-6-acethyl-7-methyliuglone | 0 | 1879 | |
| 43 | Tricin | 0 | 1A2_Inh | 1997 |
| 45 | Luteolin | 0 | 1A2_Inh/3A4_Inh | 3069 |
| 46 | Quercetin | 1 | 1A2_Inh/3A4_Inh | 4847 |
| 47 | Kaempferol | 0 | 1A2_Inh/3A4_Inh | 3250 |
| 49 | Apigenin | 0 | 1A2_Inh/3A4_Inh | 4081 |
| 55 | Copaene | 0 | 2051 | |
| 57 | Hexanoic acid | 0 | 2202 | |
| 58 | Hexadecanoic acid methyl ester | 1 | 2176 | |
| 59 | Hexadecanoic acid ethyl ester | 2 | 2131 | |
| 69 | Catechin | 0 | 2295 | |
| 70 | Epicatechin | 0 | 2350 | |
| 75 | Gallic acid | 0 | 3889 | |
| 76 | Methylgallate | 0 | 2217 | |
| 77 | N-trans-feruloyltyramine | 0 | 2C9_Inh | 1920 |
| 78 | N-trans-feruloyl-3-methyldopamine | 0 | 2128 | |
| 79 | Indole-3-(L-α-amino-α-hydroxypropionicacid)methyl ester | 1 | 2004 | |
| 80 | 7-Hydroxy-4-methylcoumarin-5-O-β-D-glucopyranoside | 1 | 1907 | |
| 81 | 7-Hydroxy-3,4-dimethylcoumarin-5-O-β-D-glucopyranoside | 1 | 1836 | |
| 82 | n-Butyl-β-D-fructopyranoside | 0 | 2061 | |
| 83 | 1,3-Dihydroxy-6,7-dimethylxanthone-1-O-β-D-glueopyranoside | 1 | 2061 | |
| 84 | Daucosterol | 2 | 3A4_Sub | 2061 |
| 85 | 4-Hydroxybenzaldehyde | 0 | 2072 | |
| 86 | 5-Carboxymethyl-7-hydroxy-2-methylchromone | 0 | 2C19_Inh | 2061 |
| 87 | 1,2-Propanediol-1-(4-hydroxy-phenyl) | 0 | 1901 | |
| 90 | Torachrysone-8-O-β-D-glucopyranoside | 2 | 1969 | |
| 95 | β-Sitosterol-3-O-β-D-glucoside | 2 | 3A4_Sub | 2034 |
| 96 | 2,5-Dimethyl-7-hydroxychromone | 0 | 1A2_Inh/2C9_Inh | 1859 |
| 97 | Schizandrin | 0 | 2221 | |
| 99 | 2,3-Di-hydro-3,5-dihydroxy-6-methyl-4(H)-pyran-4-one | 0 | 2034 | |
| 100 | Hydroxymaltol | 0 | 2137 | |
| 101 | 5-Hydroxy methyl-furfuran | 0 | 1A2_Inh | 2058 |
| 102 | Butanedioicacid | 0 | 2107 | |
| 103 | 5-Dihydroxy-6-methyl-4(H)-pyran-4-one | 0 | 1836 | |
| 104 | Danthron | 0 | 1A2_Inh | 2487 |
| 105 | Piceid | 1 | 1879 |
The term 'Compound id' ranges from 1 to 105, meaning all the 105 compounds collected at first. But only the 54 compounds with good intestinal absorption were displayed here. Intestinal absorption levels: '0' stands for good, '1' for moderate and '2' for poor. 'Inh' means inhibitor and 'Sub' means substrate.