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Table 1 The selected active compounds of SH003

From: Network pharmacology study to explore the multiple molecular mechanism of SH003 in the treatment of non-small cell lung cancer

Source

Compound name

PubChem CID

MW

ALogP

Hdon

Hacc

OB (%)

Caco-2

DL

RBN

Astragalus membranaceus

3'-O-Methylorobol

5,319,744

300.26

2.05

3

6

57.41

0.45

0.27

2

Baicalein

5,281,605

270.24

2.33

3

5

33.52

0.63

0.21

1

Calycosin

5,280,448

284.26

2.32

2

5

47.75

0.52

0.24

2

Formononetin

5,280,378

268.26

2.58

1

4

69.67

0.78

0.21

2

Hesperetin

72,281

302.28

2.28

3

6

70.31

0.37

0.27

2

Hispidulin

5,281,628

300.26

2.32

3

6

30.97

0.48

0.27

2

Isorhamnetin

5,281,654

316.26

1.76

4

7

49.60

0.31

0.31

2

Kaempferol

5,280,863

286.24

1.77

4

6

41.88

0.26

0.24

1

Kumatakenin

5,318,869

314.29

2.09

2

6

50.83

0.61

0.29

3

Liquiritigenin

114,829

256.25

2.57

2

4

32.76

0.51

0.18

1

Medicarpin

336,327

270.28

2.66

1

4

49.22

1.00

0.34

1

Mosloflavone

471,722

298.29

2.84

1

5

34.04

0.86

0.26

3

Odoratin

13,965,473

314.29

2.3

2

6

49.95

0.42

0.30

3

Pratensein

5,281,803

300.26

1.37

2

6

39.06

0.39

0.28

2

Wogonin

5,281,703

284.26

2.59

2

5

30.68

0.79

0.23

2

Angelica gigas

Marmesin

334,704

246.26

2.03

1

4

50.28

0.52

0.18

1

Trichosanthes Kirilowii Maximowicz

Chrysoeriol

5,280,666

300.26

2.32

3

6

35.85

0.39

0.27

2

Diosmetin

5,281,612

300.26

2.32

3

6

31.14

0.46

0.27

2

Luteolin

5,280,445

286.24

2.07

4

6

36.16

0.19

0.25

1

7-O-Methylluteolin

5,318,214

300.26

2.32

3

6

36.47

0.52

0.27

2