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Table 2 XHLP effective active component information

From: Study on the potential active components and molecular mechanism of Xiao Huoluo Pills in the treatment of cartilage degeneration of knee osteoarthritis based on bioinformatics analysis and molecular docking technology

ID

Pubchem CId

Component

OB (%)

DL

Herbs (Latin name)

CHW1

22212681

1-[(5R,8R,9S,10S,12R,13S,14S,17S)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

33.47

0.42

Aconiti Radix

CHW2

92979

Delta4,16-Androstadien-3-one

37.63

0.31

CAW1

133323

Izoteolin

39.53

0.51

Aconitum Kusnezoffii Reichb

CAW2

441742

Karakoline

51.73

0.73

CAW3

21598997

3-Deoxyaconitine

30.96

0.24

CAW4

21599000

3-Acetylaconitine

37.05

0.2

CAW5

157539

Crassicauline A

34.13

0.21

CAW6

155569

yunaconitine

33.56

0.2

CAW7

441749

Napelline

34.48

0.72

DIL1

–

Lumbrifebrine

–

–

Pheretima

DIL2

–

Lumbritin

–

–

DIL3

–

Lumbrolysin

–

–

TLX1

22524484

[(2R)-2-[[[(2R)-2-(benzoylamino)-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate

38.88

0.56

Arisaematis Rhizoma

TLX2

5283637

24-epicampesterol

37.58

0.71

TLX3

12303645

sitosterol

36.91

0.75

TLX4

5997

CLR

37.87

0.68

TLX5

5364473

8,11,14-Docosatrienoic acid, methyl ester

43.23

0.3

RUX1

101257

tirucallol

42.12

0.75

Olibanun

RUX2

15181201

O-acetyl-α-boswellic acid

42.73

0.7

RUX3

637234

3alpha-Hydroxy-olean-12-en-24-oic-acid

39.32

0.75

RUX4

168928

Boswellic acid

39.55

0.75

RUX5

44559813

Phyllocladene

33.4

0.27

RUX6

–

3-Oxo-tirucallic,acid

42.86

0.81

RUX7

15181201

Acetyl-alpha-boswellic,acid

42.73

0.7

RUX8

44583885

Incensole

45.59

0.22

MOY1

13258914

Quercetin-3-O-β-D-glucuronide

30.66

0.74

Myrrha

MOY2

5281855

Ellagic acid

43.06

0.43

MOY3

440832

Pelargonidin

37.99

0.21

MOY4

5283663

Poriferasta-7,22E-dien-3beta-ol

42.98

0.76

MOY5

69232409

Guggulsterol-VI

54.72

0.43

MOY6

128211

Mansumbinoic acid

48.1

0.32

MOY7

57401582

Myrrhanol C

39.96

0.58

MOY8

–

(8R)-3-oxo-8-hydroxy-polypoda -13E,17E,21-triene

44.83

0.59

MOY9

102242792

Myrrhanones B

34.39

0.67

MOY10

–

Epimansumbinol

61.81

0.4

MOY11

51407984

Diayangambin

63.84

0.81

MOY12

667495

(2R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

42.36

0.21

MOY13

–

(13E,17E,21E)-8-hydroxypolypodo-13,17,21-trien-3-one

44.34

0.58

MOY14

–

(13E,17E,21E)-polypodo-13,17,21-triene-3,18-diol

39.96

0.58

MOY15

–

16-Hydroperoxymansumbin-13(17)-en-3β-ol

41.05

0.49

MOY16

–

Mansumbin-13(17)-en- 3,16-dione

41.78

0.45

MOY17

–

(16S, 20R)-Dihydroxydammar-24-en-3-one

37.34

0.78

MOY18

5318259

15α-Hydroxymansumbinone

37.51

0.44

MOY19

636531

28-Acetoxy-15α-hydroxymansumbinone

41.85

0.67

MOY20

101281214

Isofouquierone

40.95

0.78

MOY21

11004967

[(5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofurano[6,5-f][1,3]benzodioxol-8a-yl] acetate

44.08

0.9

MOY22

–

Phellamurin_qt

56.6

0.39

MOY23

–

(3R,20S)-3,20-Dihydroxydammar- 24-ene

37.49

0.75

MOY24

–

3-Methoxyfuranoguaia-9- en-8-one

35.15

0.18

MOY25

6439929

Guggulsterone

42.45

0.44

MOY26

441774

Petunidin

30.05

0.31

MOY27

5280343

Quercetin

46.43

0.28

MOY28

–

4,17(20)-(cis)-pregnadiene-3,16-dione

51.42

0.48

MOY29

101297585

Guggulsterol IV

33.59

0.74

MOY30

10496532

(7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-7-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione

35.75

0.48

MOY31

–

7β,15β- dihydroxypregn-4-ene-3,16-dione

43.11

0.51

MOY32

–

11α-hydroxypregna-4,17(20)-trans-diene-3,16-dione

36.62

0.47

MOY33

102242791

myrrhanone A

40.25

0.63

MOY34

–

3β-acetoxy-16β,20(R)-dihydroxydammar-24-ene

38.72

0.81

MOY35

–

1α-acetoxy-9,19-cyclolanost-24-en-3β-ol

44.4

0.78

MOY36

12019028

[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

33.07

0.8

MOY37

21625900

cabraleone

36.21

0.82

MOY38

–

(20S)-3β-acetoxy-12β,16β,25-tetrahydroxydammar-23-ene

34.89

0.82

MOY39

–

(20S)-3β,12β,16β,25-pentahydroxydammar-23-ene

37.94

0.75

MOY40

–

(20R)-3β-acetoxy-16β-dihydroxydammar-24-ene

40.36

0.82

MOY41

–

3β- hydroxydammar-24-ene

40.27

0.82

MOY42

10870920

[(5S,6R,8R,9Z)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate

34.76

0.25

MOY43

–

2-Methoxyfuranoguaia-9-ene-8-one

66.18

0.18

A1

441737

hypaconitine

31.39

0.26

Aconiti Radix/Aconitum Kusnezoffii Reichb

B1

222284

beta-sitosterol

36.91

0.75

Arisaematis Rhizoma/Myrrha

B2

5280794

Stigmasterol

43.83

0.76

Arisaematis Rhizoma/Myrrha