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Table 3 “Component-target” active ingredient

From: Integrated strategy of network analysis prediction and experimental validation to elucidate the possible mechanism of compound Turkish gall ointment in treating eczema

No

Traditional Chinese medicine

MolId

MolName

No. of eczema-related targets

Ingredient source

1

Turkish gall

MOL000513

Gallic acid

21

A and B

2

Turkish gall/Comfrey

MOL000069

Palmitic acid

17

B

3

Turkish gall

MOL001002

Ellagic acid

17

A and B

4

Turkish gall

MOL002037

Amentoflavone

4

B

5

Turkish gall

MOL001907

Progallin A/Ethyl gallate

3

A and B

6

Turkish gall/Comfrey

MOL000359

Sitosterol

3

B

7

Turkish gall

MOL001906

Methylgallate

2

A and B

8

Turkish gall

MOL000569

Digallate

1

B

9

Comfrey

MOL000131

EIC

15

B

10

Comfrey

MOL001492

Ethyl icosanoate

/

B

11

Comfrey

MOL001493

Ethyl margarate

/

B

12

Comfrey

MOL001494

Mandenol

3

B

13

Comfrey

MOL001498

Ethyl stearate

/

B

14

Comfrey

MOL001499

Ethyl tetracosanate

/

B

15

Comfrey

MOL000223

Caffeic acid

23

B

16

Comfrey

MOL002372

(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

/

B

17

Comfrey

MOL000263

Oleanolic acid

6

B

18

Comfrey

MOL002691

Iva

25

B

19

Comfrey

MOL002883

Ethyl oleate (NF)

1

B

20

Comfrey

MOL003616

Isobutyryl shikonin

16

A and B

21

Comfrey

MOL003619

[(1R)-1-(5,8-dihydroxy-1,4-diOxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate

10

B

22

Comfrey

MOL004784

Stenol

/

B

23

Comfrey

MOL000511

Ursolic acid

55

A and B

24

Comfrey

MOL005705

Eicosanol

/

B

25

Comfrey

MOL005796

Lignocerol

/

B

26

Comfrey

MOL005855

Tormentic acid

1

B

27

Comfrey

MOL000663

Lignoceric acid

2

B

28

Comfrey

MOL000675

Oleic acid

48

B

29

Comfrey

MOL007060

Lithospermic acid B

/

B

30

Comfrey

MOL007714

1-methoxyacetylshikonin

14

B

31

Comfrey

MOL007715

[(1R)-1-(5,8-dihydroxy-1,4-diOxo-2-naphthyl)-4-methyl-pent-3-enyl] propanoate

16

B

32

Comfrey

MOL007716

Acetylshikonin

19

A and B

33

Comfrey

MOL007717

Alkannin beta,beta-dimethylacrylate

12

B

34

gongComfrey

MOL007718

Methyl nervonate

/

B

35

Comfrey

MOL007719

Arnebin 7/Deoxyshikonin

15

A and B

36

Comfrey

MOL007720

(2R)-3-oxo-2-phenylbutanenitrile

18

B

37

Comfrey

MOL007721

Totarol

/

B

38

Comfrey

MOL007722

Isoarnebin 4

7

B

39

Comfrey

MOL007723

Alkannan

12

B

40

Comfrey

MOL007724

Senecic acid

12

B

41

Comfrey

MOL007725

5-Methylphthalide

/

B

42

Comfrey

MOL007726

Ethyl docosanoate

/

B

43

Comfrey

MOL007727

Ethyl senecioate

1

B

44

Comfrey

MOL007728

Lithospermidin A

9

B

45

Comfrey

MOL007729

Shikonofuran C

4

B

46

Comfrey

MOL007730

Shikonofuran B

5

B

47

Comfrey

MOL007731

Arnebinol

12

B

48

Comfrey

MOL007732

Arnebinone

8

B

49

Comfrey

MOL007733

Butyric acid, 3-hydroxy-3-methyl-

/

B

50

Comfrey

MOL007734

5-[(E)-5-(3-furyl)-2-methyl-pent-2-enyl]-2,3-dimethoxy-p-benzoquinone

5

B

51

Comfrey

MOL007735

Des-O-methyllasiodiplodin

/

B

52

Comfrey

MOL007736

Lithospermidin B

6

B

53

Comfrey

MOL007737

Alpha-methyl-n-butylshikonin

13

A and B

54

Comfrey

MOL007738

Beta-acetoxyisovalerylshikonin

6

B

55

Comfrey

MOL007739

[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate

/

B

56

Comfrey

MOL007740

[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate

25

B

57

Comfrey

MOL000861

Healip

/

B

  1. A represents the components detected by mass spectrometry, B represents the components obtained from the database and literature search