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Table 1 Information of the active compounds in GEB for network analysis

From: A network pharmacology-based investigation on the bioactive ingredients and molecular mechanisms of Gelsemium elegans Benth against colorectal cancer

NO

Name

Compound CID

MW

MF

Source

1

N- Desmethoxyrankinidine

5,316,594

310.4

C19H22N2O2

TCMID, References [16, 24]

2

11- Methoxygelsemamide

5,319,437

355.4

C21H25NO4

TCM-Taiwan, References [16, 24]

3

Gelsevirine

14,217,344

352.4

C21H24N2O3

TCMID, BATMAN-TCM, TCM-Taiwan, References [16, 24]

4

Gelsenicine

21,123,652

326.4

C19H22N2O3

References [16, 24]

5

Gelsedine

21,589,070

328.4

C19H24N2O3

TCMID, BATMAN-TCM, TCM-Taiwan, References [16, 24]

6

19 - Z- akuammidine

44,583,830

352.4

C21H24N2O3

References [16, 24]

7

Dihydrokoumine

5,316,727

308.4

C20H24N2O

BATMAN-TCM, References [16, 24]

8

19- (R)- Hydroxydihydrokoumine

50,278,496

324.4

C20H24N2O2

TCMID, BATMAN-TCM, TCM-Taiwan, References [16, 24]

9

19- (S)- Hydroxydihydrokoumine

5,318,193

324.4

C20H24N2O2

References [16, 24]

10

N- Desmethoxyhumantenine

5,316,593

324.4

C20H24N2O2

TCMID, BATMAN-TCM, Reference [24]

11

15- Hydroxyhumantenine

101,606,434

370.4

C21H26N2O4

TCMID, References [16, 24]

12

Humantenmine

158,212

326.4

C19H22N2O3

TCMID, BATMAN-TCM, TCM-Taiwan, Reference [24]

13

11-Hydroxyrankinidine

5,318,332

356.4

C20H24N2O4

TCMID, References [16, 24]

14

11-Hydroxyhumantenine

5,318,224

370.4

C21H26N2O4

TCMID, References [16, 24]

15

11-Methoxyhumantenine

44,583,832

384.5

C22H28N2O4

TCMID, BATMAN-TCM, References [16, 24]

16

19- (S)- Hydroxydihydrogelsevirine

5,318,192

370.4

C21H26N2O4

References [16, 24]

17

Gelseoxazolidinine

102,297,300

428.5

C23H28N2O6

References [16, 24]

18

Gelselegine

10,948,335

358.4

C20H26N2O4

TCMID, References [16, 24]

19

19α-Hydroxygelsamydine

102,003,053

524.6

C29H36N2O7

References [16, 24]

20

Gelsamydine

5,317,540

508.6

C29H36N2O6

TCMID, References [16, 24]

21

Gelegamine E

101,467,881

370.4

C20H22N2O5

References [16, 24]

22

Gelegamine A

101,467,877

384.4

C21H24N2O5

References [16, 24]

23

Gelegamine B

101,467,878

384.4

C21H24N2O5

References [16, 24]

24

Gelsenine

NA

358.19

C20H26N2O4

References [16, 24]

25

21- Oxokoumine

NA

320.1

C20H20N2O2

References [16, 24]

26

Furanokoumine

NA

322.1

C20H22N2O2

References [16, 24]

27

Koumidine

44,584,550

294.4

C19H22N2O

TCMID, BATMAN-TCM, References [16, 24]

28

Gelebolines A

NA

320.15

C20H20N2O2

References [16, 24]

29

19- Z- taberpsychine

5,321,582

310.4

C20H26N2O

References [16, 24]

30

Nb-Methylgelsedilam

NA

328.14

C18H20N2O4

References [16, 24]

31

Gelsesyringalidine

136,704,418

490.5

C28H30N2O6

References [16, 24]

32

14- Dehydroxygelsefuranidine

102,417,029

404.5

C24H24N2O4

References [16, 24]

33

Humantenoxenine

NA

368.17

C21H24N2O4

References [16, 24]

34

Kounaminal

102,260,292

363.5

C22H25N3O2

References [16, 24]

35

Dehydrokoumidine

119,077,162

292.4

C19H20N2O

References [16, 24]

36

Koumine

91,895,267

306.4

C20H22N2O

TCMID, BATMAN-TCM, TCM-Taiwan, References [16, 24]

37

Gelsemine

279,057

322.4

C20H22N2O2

TCMID, BATMAN-TCM, Reference [16]

38

Elegansamine

5,317,023

508.6

C29H36N2O6

TCMID, BATMAN-TCM

39

Ranol

10,939,065

438.6

C26H46O5

TCMID, BATMAN-TCM, TCM-Taiwan

40

12α-Hudroxyrotenone

161,176

410.4

C23H22O7

TCMID, TCM-Taiwan

41

5-methoxy-7-(4-hydroxy-33methoxy phenyl)-1-phenyl-3-heptanone

26,088,037

342.4

C21H26O4

TCMID, TCM-Taiwan

42

15-Hydroxyhumamtenine

101,606,434

370.4

C21H26N2O4

TCMID

43

Humantenine

44,593,672

354.4

C21H26N2O3

TCMID, BATMAN-TCM, TCM-Taiwan

44

Akuammidine N-Oxide

11,268,654

368.4

C21H24N2O4

TCMID, BATMAN-TCM, TCM-Taiwan

45

19-(Z)-Akuammidine

44,583,830

352.4

C21H24N2O3

TCMID, TCM-Taiwan

46

Tabersonine

20,485

336.4

C21H24N2O2

TCMID, BATMAN-TCM, TCM-Taiwan

47

Gelsemicine

5,462,428

358.4

C20H26N2O4

TCMID, BATMAN-TCM, TCM-Taiwan

48

19-(Z)-Taberpsychine

5,321,582

310.4

C20H26N2O

TCMID, BATMAN-TCM

49

19-(S)-Hydroxydihydrokoumine

5,318,193

324.4

C20H24N2O2

TCMID, TCM-Taiwan

50

n-desmethoxtrankinidine

5,316,593

324.4

C20H24N2O2

TCMID

51

Oxoglaucine

97,662

351.4

C20H17NO5

TCMID, BATMAN-TCM, TCM-Taiwan

52

Sempervirine (II)

168,919

272.3

C19H16N2

TCMID, TCM-Taiwan

53

6-methoxygeniposidic acid

6,325,623

404.4

C17H24O11

TCMID

54

hydroxygenkwanin

5,318,214

300.3

C16H12O6

TCMID

55

dihydromelilotoside

5,316,728

328.3

C15H20O8

TCMID

56

7-hydroxydihydromatatabiether

5,318,195

170.4

C10H18O2

TCMID

  1. NA: Not applicable