Table 1.
Active compounds of BHD and their parameters.
| Herb | Mol ID | Molecule name | OB (%) | Caco-2 | DL |
|---|---|---|---|---|---|
| RA | MOL000211 | Mairin | 55.38 | 0.73 | 0.78 |
| RA | MOL000239 | Jaranol | 50.83 | 0.61 | 0.29 |
| RA | MOL000296 | Hederagenin | 36.91 | 1.32 | 0.75 |
| RA | 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-1H-cyclopenta[a]phenanthren-3-ol | 36.23 | 1.45 | 0.78 |
| RA | MOL000354 | Isorhamnetin | 49.6 | 0.31 | 0.31 |
| RA | MOL000371 | 3,9-Di-O-methylnissolin | 53.74 | 1.18 | 0.48 |
| RA | MOL000378 | 7-O-Methylisomucronulatol | 74.69 | 1.08 | 0.3 |
| RA | MOL000380 | (6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofurano [3,2-c] chromen-3-ol | 64.26 | 0.93 | 0.42 |
| RA | MOL000387 | Bifendate | 31.1 | 0.15 | 0.67 |
| RA | MOL000392 | Formononetin | 69.67 | 0.78 | 0.21 |
| RA | MOL000398 | Isoflavanone | 109.99 | 0.53 | 0.3 |
| RA | MOL000417 | Calycosin | 47.75 | 0.52 | 0.24 |
| RA | MOL000422 | Kaempferol | 41.88 | 0.26 | 0.24 |
| RA | MOL000438 | (3R)-3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-ol | 67.67 | 0.96 | 0.26 |
| RA | MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | 39.05 | 0.89 | 0.48 |
| RA | MOL000098 | Quercetin | 46.43 | 0.05 | 0.28 |
| CR | MOL001494 | Mandenol | 42 | 1.46 | 0.19 |
| CR | MOL002135 | Myricanone | 40.6 | 0.67 | 0.51 |
| CR | MOL002140 | Perlolyrine | 65.95 | 0.88 | 0.27 |
| CR | MOL002151 | Senkyunone | 47.66 | 1.15 | 0.24 |
| CR | MOL002157 | Wallichilide | 42.31 | 0.82 | 0.71 |
| CR | MOL000359 | Sitosterol | 36.91 | 1.32 | 0.75 |
| RPR | MOL001918 | Paeoniflorgenone | 87.59 | −0.09 | 0.37 |
| RPR | MOL001925 | Paeoniflorin_qt | 68.18 | −0.34 | 0.4 |
| RPR | MOL002714 | Baicalein | 33.52 | 0.63 | 0.21 |
| RPR | MOL000358 | Beta-sitosterol | 36.91 | 1.32 | 0.75 |
| RPR | MOL000359 | Sitosterol | 36.91 | 1.32 | 0.75 |
| RPR | MOL004355 | Spinasterol | 42.98 | 1.44 | 0.76 |
| RPR | MOL000449 | Stigmasterol | 43.83 | 1.44 | 0.76 |
| RPR | MOL000492 | (+)-Catechin | 54.83 | −0.03 | 0.24 |
| RPR | MOL006992 | (2R,3R)-4-Methoxyl-distylin | 59.98 | 0.17 | 0.3 |
| RPR | MOL006994 | 1-o-Beta-d-glucopyranosyl-8-o-benzoylpaeonisuffrone_qt | 36.01 | −0.03 | 0.3 |
| RPR | MOL006996 | 1-o-Beta-d-glucopyranosylpaeonisuffrone_qt | 65.08 | −0.05 | 0.35 |
| RPR | MOL006999 | Stigmast-7-en-3-ol | 37.42 | 1.32 | 0.75 |
| RPR | MOL007005 | Albiflorin_qt | 48.7 | −0.38 | 0.33 |
| RPR | MOL007008 | 4-Ethyl-paeoniflorin_qt | 56.87 | −0.17 | 0.44 |
| RPR | MOL007012 | 4-o-Methyl-paeoniflorin_qt | 56.7 | 0.4 | 0.43 |
| RPR | MOL007016 | Paeoniflorigenone | 65.33 | −0.13 | 0.37 |
| RPR | MOL007018 | 9-Ethyl-neo-paeoniaflorin A_qt | 64.42 | −0.01 | 0.3 |
| RPR | MOL007022 | Evofolinb | 64.74 | 0 | 0.22 |
| RPR | MOL002883 | Ethyl oleate (NF) | 32.4 | 1.4 | 0.19 |
| RPR | MOL005043 | Campest-5-en-3beta-ol | 37.58 | 1.32 | 0.71 |
| ASR | MOL000358 | Beta-sitosterol | 36.91 | 1.32 | 0.75 |
| ASR | MOL000449 | Stigmasterol | 43.83 | 1.44 | 0.76 |
| PS | MOL001323 | Sitosterol alpha1 | 43.28 | 1.41 | 0.78 |
| PS | MOL001328 | 2,3-Didehydro GA70 | 63.29 | −0.27 | 0.5 |
| PS | MOL001339 | GA119 | 76.36 | −0.12 | 0.49 |
| PS | MOL001340 | GA120 | 84.85 | 0.38 | 0.45 |
| PS | MOL001342 | GA121-isolactone | 72.7 | −0.26 | 0.54 |
| PS | MOL001343 | GA122 | 64.79 | −0.17 | 0.5 |
| PS | MOL001344 | GA122-isolactone | 88.11 | −0.18 | 0.54 |
| PS | MOL001351 | Gibberellin A44 | 101.61 | −0.13 | 0.54 |
| PS | MOL001358 | Gibberellin 7 | 73.8 | −0.18 | 0.5 |
| PS | MOL001371 | Populoside_qt | 108.89 | 0.49 | 0.2 |
| PS | MOL000296 | Hederagenin | 36.91 | 1.32 | 0.75 |
| PS | MOL000358 | Beta-sitosterol | 36.91 | 1.32 | 0.75 |
| PS | MOL000493 | Campesterol | 37.58 | 1.31 | 0.71 |
| CF | MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 1.45 | 0.75 |
| CF | MOL002680 | Flavoxanthin | 60.41 | 0.97 | 0.56 |
| CF | MOL002694 | 4-[(E)-4-(3,5-Dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one | 48.47 | 0.81 | 0.36 |
| CF | MOL002695 | Lignan | 43.32 | 0.42 | 0.65 |
| CF | MOL002698 | Lupeol-palmitate | 33.98 | 1.52 | 0.32 |
| CF | MOL002706 | Phytoene | 39.56 | 2.22 | 0.5 |
| CF | MOL002707 | Phytofluene | 43.18 | 2.29 | 0.5 |
| CF | MOL002710 | Pyrethrin II | 48.36 | 0.53 | 0.35 |
| CF | MOL002712 | 6-Hydroxykaempferol | 62.13 | 0.16 | 0.27 |
| CF | MOL002714 | Baicalein | 33.52 | 0.63 | 0.21 |
| CF | MOL002717 | qt_Carthamone | 51.03 | −0.31 | 0.2 |
| CF | MOL002719 | 6-Hydroxynaringenin | 33.23 | 0.27 | 0.24 |
| CF | MOL002721 | Quercetagetin | 45.01 | −0.06 | 0.31 |
| CF | MOL002757 | 7,8-Dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione | 45.75 | 0.06 | 0.19 |
| CF | MOL002773 | Beta-carotene | 37.18 | 2.25 | 0.58 |
| CF | MOL000358 | Beta-sitosterol | 36.91 | 1.32 | 0.75 |
| CF | MOL000422 | Kaempferol | 41.88 | 0.26 | 0.24 |
| CF | MOL000449 | Stigmasterol | 43.83 | 1.44 | 0.76 |
| CF | MOL000006 | Luteolin | 36.16 | 0.19 | 0.25 |
| CF | MOL000953 | CLR | 37.87 | 1.43 | 0.68 |
| CF | MOL000098 | Quercetin | 46.43 | 0.05 | 0.28 |