Table 1.
The active compounds among the SHD for network analysis.
| No. | Herb | Mol ID | Molecule name | CAS | MW | OB (%) | DL |
|---|---|---|---|---|---|---|---|
| 1 | AF | MOL007879 | Tetramethoxyluteolin | 855-97-0 | 342.37 | 43.68 | 0.37 |
| 2 | AF | MOL005814 | Tangeretin | 481-53-8 | 372.4 | 21.38 | 0.43 |
| 3 | AF | MOL001803 | Sinensetin | 2306-27-6 | 372.4 | 50.56 | 0.45 |
| 4 | AF | MOL013433 | Prangenin hydrate | 31575-93-6 | 304.32 | 72.63 | 0.29 |
| 5 | AF | MOL013430 | Prangenin | 2880-49-1 | 286.3 | 43.6 | 0.29 |
| 6 | AF | MOL013276 | Poncirin | 14941-08-3 | 594.62 | 36.55 | 0.74 |
| 7 | AF | MOL013435 | Poncimarin | 55916-48-8 | 330.41 | 63.62 | 0.35 |
| 8 | AF | MOL013352 | Obacunone | 751-03-1 | 454.56 | 43.29 | 0.77 |
| 9 | AF | MOL005828 | Nobiletin | 478-01-3 | 402.43 | 61.67 | 0.52 |
| 10 | AF | MOL001798 | Neohesperidin_qt | 13241-33-3 | 302.3 | 71.17 | 0.27 |
| 11 | AF | MOL005812 | Naringin | 10236-47-2 | 580.59 | 6.92 | 0.78 |
| 12 | AF | MOL004328 | Naringenin | 480-41-1 | 272.27 | 59.29 | 0.21 |
| 13 | AF | MOL000006 | Luteolin | 491-70-3 | 286.25 | 36.16 | 0.25 |
| 14 | AF | MOL013277 | Isosinensetin | 17290-70-9 | 372.4 | 51.15 | 0.44 |
| 15 | AF | MOL013428 | Isosakuranetin-7-rutinoside | 14259-47-3 | 594.62 | 41.24 | 0.72 |
| 16 | AF | MOL013436 | Isoponcimarin | 59176-65-7 | 330.41 | 63.28 | 0.31 |
| 17 | AF | MOL007930 | Hesperidin | 520-26-3 | 610.62 | 13.33 | 0.67 |
| 18 | AF | MOL002914 | Eriodyctiol (flavanone) | 487-26-3 | 288.27 | 41.35 | 0.24 |
| 19 | AF | MOL005849 | Didymin | 14259-47-3 | 286.3 | 38.55 | 0.24 |
| 20 | AF | MOL013440 | Citrusin B | 105279-10-5 | 568.63 | 40.8 | 0.71 |
| 21 | AF | MOL000008 | Apigenin | 520-36-5 | 270.25 | 23.06 | 0.21 |
| 22 | AF, NR | MOL001941 | Ammidin | 482-44-0 | 270.3 | 34.55 | 0.22 |
| 23 | AF | MOL013437 | 6-Methoxy aurapten | 28587-44-2 | 328.44 | 31.24 | 0.3 |
| 24 | AF | MOL005100 | 5,7-Dihydroxy-2-(3-hydroxy-4- methoxyphenyl)chroman-4-one | 520-33-2 | 302.3 | 47.74 | 0.27 |
| 25 | AF | MOL013279 | 5,7,4′-Trimethylapigenin | 5631-70-9 | 312.34 | 39.83 | 0.3 |
| 26 | AF | MOL009053 | 4-[(2S,3R)-5-[(E)-3-hydroxyprop-1-enyl]- 7-methoxy-3-methylol-2,3-dihydrobenzofuran- 2-yl]-2-methoxy-phenol | 4263-87-0 | 358.42 | 50.76 | 0.39 |
| 27 | NR | MOL000359 | Sitosterol | 64997-52-0 | 414.79 | 36.91 | 0.75 |
| 28 | NR | MOL002644 | Phellopterin | 2543-94-4 | 300.33 | 40.19 | 0.28 |
| 29 | NR | MOL011975 | Notoptol | 88206-49-9 | 354.43 | 62.97 | 0.48 |
| 30 | NR | MOL011974 | Notopterol | 8206-46-6 | 352.46 | 8.71 | 0.46 |
| 31 | NR | MOL004792 | Nodakenin | 495-31-8 | 408.44 | 57.12 | 0.69 |
| 32 | NR | MOL001942 | Isoimperatorin | 482-45-1 | 270.3 | 45.46 | 0.23 |
| 33 | NR | MOL011971 | Diversoside_qt | 5062-36-7 | 332.43 | 67.57 | 0.31 |
| 34 | NR | MOL002881 | Diosmetin | 520-34-3 | 300.28 | 31.14 | 0.27 |
| 35 | NR | MOL011969 | Demethylfuropinnarin | N/A | 270.3 | 41.31 | 0.21 |
| 36 | NR | MOL011968 | Coumarin, glycoside | N/A | 534.61 | 33.07 | 0.78 |
| 37 | NR | MOL001956 | Cnidilin | 14348-22-2 | 300.33 | 32.69 | 0.28 |
| 39 | NR | MOL001951 | Bergaptin | 7380-40-7 | 338.43 | 41.73 | 0.42 |
| 40 | NR | MOL011963 | 8-Geranoxy-5-ethoxypsoralen | N/A | 368.46 | 40.97 | 0.5 |
| 41 | NR | MOL011962 | 6′-Feruloylnodakenin | 131623-14-8 | 584.62 | 32.02 | 0.67 |
| 42 | MO | MOL005980 | Neohesperidin | 13241-33-3 | 302.3 | 57.44 | 0.27 |
| 43 | MO | MOL000210 | Magnolol | 528-43-8 | 266.36 | 69.19 | 0.15 |
| 44 | MO | MOL005955 | Honokiol | 35354-74-6 | 266.36 | 60.67 | 0.15 |
| 45 | MO | MOL005970 | Eucalyptol | 470-82-6 | 266.36 | 60.62 | 0.32 |
| 46 | RR | MOL002281 | Toralactone | 41743-74-2 | 272.27 | 46.46 | 0.24 |
| 47 | RR | MOL002280 | Torachrysone-8-O-beta-d-(6′-oxayl)-glucoside | N/A | 480.46 | 43.02 | 0.74 |
| 48 | RR | MOL002276 | Sennoside E_qt | 11137-63-6 | 524.5 | 50.69 | 0.61 |
| 49 | RR | MOL002293 | Sennoside D_qt | 37271-17-3 | 524.5 | 61.06 | 0.61 |
| 50 | RR | MOL002268 | Rhein | 478-43-3 | 284.23 | 47.07 | 0.28 |
| 51 | RR | MOL002260 | Procyanidin B-5,3′-O-gallate | 106533-60-2 | 730.67 | 31.99 | 0.32 |
| 52 | RR | MOL002259 | Physciondiglucoside | 84268-38-2 | 608.6 | 41.65 | 0.63 |
| 53 | RR | MOL002257 | Physcion-8-O-beta-d-glucopyranoside | 75721-38-9 | 462.44 | 8.2 | 0.85 |
| 54 | RR | MOL000476 | Physcion | 521-61-9 | 284.28 | 22.29 | 0.27 |
| 55 | RR | MOL002303 | Palmidin A | 17062-55-4 | 510.52 | 32.45 | 0.65 |
| 56 | RR | MOL002251 | Mutatochrome | 515-06-0 | 552.96 | 48.64 | 0.61 |
| 57 | RR | MOL000554 | Gallic acid-3-O-(6′-O-galloyl)-glucoside | N/A | 484.4 | 30.25 | 0.67 |
| 58 | RR | MOL002235 | Eupatin | 19587-65-6 | 360.34 | 50.8 | 0.41 |
| 59 | RR | MOL003353 | Emodinanthrone | 491-60-1 | 256.27 | 24.72 | 0.21 |
| 60 | RR | MOL002288 | Emodin-1-O-beta-d-glucopyranoside | 38840-23-2 | 432.41 | 44.81 | 0.8 |
| 61 | RR | MOL000472 | Emodin | 518-82-1 | 270.25 | 24.4 | 0.24 |
| 62 | RR | MOL002297 | Daucosterol_qt | 474-58-8 | 386.73 | 35.89 | 0.7 |
| 63 | RR | MOL001729 | Chrysophanol | 481-74-3 | 254.25 | 18.64 | 0.21 |
| 64 | RR | MOL002241 | Aloe-emodin-ω-O-β-d-glucopyranoside | 29010-56-8 | 432.41 | 9.04 | 0.81 |
| 65 | RR | MOL000471 | Aloe-emodin | 481-72-1 | 270.25 | 83.38 | 0.24 |
| 66 | RR | MOL002298 | Aloe-emodin | 481-72-1 | 272.27 | 20.65 | 0.24 |
| 67 | RR | MOL000096 | (–)-Catechin | 7295-85-4 | 290.29 | 49.68 | 0.24 |