Component: Chelidonium majus 白屈菜


Description of the Component

Component ID
TCMH101
Latin Name
Chelidonium majus
English Name
Greater celandine
Chinese Pinyin Name
Bai Qu Cai
中文名
白屈菜
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity
NA
Geo-authentic habitats (道地产区)
NA
Reference
CFDA
Barcode ID
ITSAN4417-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMFx5818 Wei Tong Ping Capsules 胃痛平胶囊
TCMFx6538 Xiao Er Bai Bei Zhi Ke Syrup 小儿白贝止咳糖浆
TCMFx6291 Xiao Er Qing Re Ling 小儿清热灵
TCMFx6449 Xiao Er Xiao Ke Tablets 小儿消咳片
TCMFx6106 Xin Xing Gou Pi Ointment 新型狗皮膏

Targeted Human Proteins by the Ingredient of Component

Target ID Gene Symbol Target Name Target Class Uniprot ID
TCMT1 EHMT2 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Transferase Q96KQ7
TCMT100 TTR Transthyretin Unclassified P02766
TCMT101 PTPN1 Protein-tyrosine phosphatase 1B Hydrolase P18031
TCMT11 HIF1A Hypoxia-inducible factor 1 alpha Transcription factor Q16665
TCMT13 APEX1 DNA-(apurinic or apyrimidinic site) lyase Lyase P27695
TCMT130 ALOX5 Arachidonate 5-lipoxygenase Oxidoreductase P09917
TCMT131 ACHE Acetylcholinesterase Hydrolase P22303
TCMT132 BCHE Butyrylcholinesterase Hydrolase P06276
TCMT133 CA1 Carbonic anhydrase I Lyase P00915
TCMT134 CA2 Carbonic anhydrase II Lyase P00918
TCMT135 CA14 Carbonic anhydrase XIV Lyase Q9ULX7
TCMT136 CA12 Carbonic anhydrase XII Lyase O43570
TCMT137 CA9 Carbonic anhydrase IX Lyase Q16790
TCMT138 CA7 Carbonic anhydrase VII Lyase P43166
TCMT139 CA6 Carbonic anhydrase VI Lyase P23280
TCMT140 CA5B Carbonic anhydrase VB Lyase Q9Y2D0
TCMT141 CA5A Carbonic anhydrase VA Lyase P35218
TCMT142 CA4 Carbonic anhydrase IV Lyase P22748
TCMT143 CA3 Carbonic anhydrase III Lyase P07451
TCMT151 PRKCA Protein kinase C alpha Kinase P17252
TCMT152 PRKCB Protein kinase C beta Kinase P05771
TCMT153 PRKCG Protein kinase C gamma Kinase P05129
TCMT154 PRKCD Protein kinase C delta Kinase Q05655
TCMT155 PRKCE Protein kinase C epsilon Kinase Q02156
TCMT156 CYP19A1 Cytochrome P450 19A1 Oxidoreductase P11511
TCMT158 EPHX2 Epoxide hydratase Lyase P34913
TCMT159 TYR Tyrosinase Oxidoreductase P14679
TCMT160 HTR7 Serotonin 7 (5-HT7) receptor GPCR P34969
TCMT161 HCAR2 Hydroxycarboxylic acid receptor 2 GPCR Q8TDS4
TCMT162 UGT1A1 UDP-glucuronosyltransferase 1-1 Transferase P22309
TCMT166 AKR1C2 Aldo-keto reductase family 1 member C2 Oxidoreductase P52895
TCMT167 AKR1C3 Aldo-keto-reductase family 1 member C3 Oxidoreductase P42330
TCMT168 AKR1C4 Aldo-keto reductase family 1 member C4 Oxidoreductase P17516
TCMT17 POLB DNA polymerase beta Transferase P06746
TCMT175 GPBAR1 G-protein coupled bile acid receptor 1 GPCR Q8TDU6
TCMT18 GAA Lysosomal alpha-glucosidase Hydrolase P10253
TCMT187 AR Androgen Receptor Nuclear receptor P10275
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
TCMT194 MAP3K7 Mitogen-activated protein kinase kinase kinase 7 Kinase O43318
TCMT195 MAP2K1 Dual specificity mitogen-activated protein kinase kinase 1 Kinase Q02750
TCMT196 MAP2K7 Dual specificity mitogen-activated protein kinase kinase 7 Kinase O14733
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT212 SRC Tyrosine-protein kinase SRC Kinase P12931
TCMT213 SLC22A1 Solute carrier family 22 member 1 Transporter O15245
TCMT22 ALPI Intestinal alkaline phosphatase Hydrolase P09923
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT226 PDPK1 3-phosphoinositide dependent protein kinase-1 Kinase O15530
TCMT23 ALPL Alkaline phosphatase, tissue-nonspecific isozyme Hydrolase P05186
TCMT236 ESR2 Estrogen receptor beta Nuclear receptor Q92731
TCMT239 PIM1 Serine/threonine-protein kinase PIM1 Kinase P11309
TCMT242 HRH3 Histamine H3 receptor GPCR Q9Y5N1
TCMT244 HRH1 Histamine H1 receptor GPCR P35367
TCMT245 HRH2 Histamine H2 receptor GPCR P25021
TCMT246 HRH4 Histamine H4 receptor GPCR Q9H3N8
TCMT260 FLT3 Tyrosine-protein kinase receptor FLT3 Kinase P36888
TCMT261 DAPK1 Death-associated protein kinase 1 Kinase P53355
TCMT265 GSK3B Glycogen synthase kinase-3 beta Kinase P49841
TCMT27 DRD1 Dopamine D1 receptor GPCR P21728
TCMT273 NR1H4 Bile acid receptor FXR Nuclear receptor Q96RI1
TCMT276 SLCO2B1 Solute carrier organic anion transporter family member 2B1 Transporter O94956
TCMT277 SLCO1B3 Solute carrier organic anion transporter family member 1B3 Transporter Q9NPD5
TCMT278 SLCO1B1 Solute carrier organic anion transporter family member 1B1 Transporter Q9Y6L6
TCMT279 VDR Vitamin D receptor Nuclear receptor P11473
TCMT280 AKR1B10 Aldo-keto reductase family 1 member B10 Oxidoreductase O60218
TCMT281 DPP4 Dipeptidyl peptidase IV Unclassified P27487
TCMT295 MMP1 Matrix metalloproteinase-1 Hydrolase P03956
TCMT3 ALOX15 Arachidonate 15-lipoxygenase Oxidoreductase P16050
TCMT306 MMP2 Matrix metalloproteinase-2 Hydrolase P08253
TCMT307 KCNH2 HERG Ion channel Q12809
TCMT31 CYP2C19 Cytochrome P450 2C19 Oxidoreductase P33261
TCMT320 MMP3 Matrix metalloproteinase 3 Hydrolase P08254
TCMT321 MMP9 Matrix metalloproteinase 9 Hydrolase P14780
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT331 PLG Plasminogen Unclassified P00747
TCMT34 CYP2D6 Cytochrome P450 2D6 Oxidoreductase P10635
TCMT354 AURKA Serine/threonine-protein kinase Aurora-A Kinase O14965
TCMT355 CSNK1D Casein kinase I delta Kinase P48730
TCMT359 FYN Tyrosine-protein kinase FYN Kinase P06241
TCMT36 HTR1A Serotonin 1a (5-HT1a) receptor GPCR P08908
TCMT369 IGF1R Insulin-like growth factor I receptor Kinase P08069
TCMT37 HTR2A Serotonin 2a (5-HT2a) receptor GPCR P28223
TCMT370 KDR Vascular endothelial growth factor receptor 2 Kinase P35968
TCMT374 AURKB Serine/threonine-protein kinase Aurora-B Kinase Q96GD4
TCMT377 INSR Insulin receptor Kinase P06213
TCMT378 LIMK1 LIM domain kinase 1 Kinase P53667
TCMT38 DRD2 Dopamine D2 receptor GPCR P14416
TCMT384 GRK6 G protein-coupled receptor kinase 6 Kinase P43250
TCMT388 AXL Tyrosine-protein kinase receptor UFO Kinase P30530
TCMT393 MERTK Proto-oncogene tyrosine-protein kinase MER Kinase Q12866
TCMT401 MET Hepatocyte growth factor receptor Kinase P08581
TCMT402 ALK ALK tyrosine kinase receptor Kinase Q9UM73
TCMT407 MYLK Myosin light chain kinase, smooth muscle Kinase Q15746
TCMT417 DYRK2 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Kinase Q92630
TCMT418 EPHB4 Ephrin type-B receptor 4 Kinase P54760
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT422 CAMK2B CaM kinase II beta Kinase Q13554
TCMT423 EGFR Epidermal growth factor receptor erbB1 Kinase P00533
TCMT434 JAK2 Tyrosine-protein kinase JAK2 Kinase O60674
TCMT436 NUAK1 NUAK family SNF1-like kinase 1 Kinase O60285
TCMT441 PTK2 Focal adhesion kinase 1 Kinase Q05397
TCMT445 NEK2 Serine/threonine-protein kinase NEK2 Kinase P51955
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT457 FLT4 Vascular endothelial growth factor receptor 3 Kinase P35916
TCMT458 HASPIN Serine/threonine-protein kinase haspin Kinase Q8TF76
TCMT46 F3 Coagulation factor III Unclassified P13726
TCMT460 MAPKAPK2 MAP kinase-activated protein kinase 2 Kinase P49137
TCMT462 NEK6 Serine/threonine-protein kinase NEK6 Kinase Q9HC98
TCMT466 MAPK9 c-Jun N-terminal kinase 2 Kinase P45984
TCMT473 PIM3 Serine/threonine-protein kinase PIM3 Kinase Q86V86
TCMT479 AKT1 Serine/threonine-protein kinase AKT Kinase P31749
TCMT484 PLK1 Serine/threonine-protein kinase PLK1 Kinase P53350
TCMT502 TEK Tyrosine-protein kinase TIE-2 Kinase Q02763
TCMT506 PTK2B Protein tyrosine kinase 2 beta Kinase Q14289
TCMT507 MAPK14 MAP kinase p38 alpha Kinase Q16539
TCMT508 SYK Tyrosine-protein kinase SYK Kinase P43405
TCMT510 KIT Stem cell growth factor receptor Kinase P10721
TCMT536 PDGFRB Platelet-derived growth factor receptor beta Kinase P09619
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT60 FASN Fatty acid synthase Unclassified P49327
TCMT613 NR3C1 Glucocorticoid receptor Nuclear receptor P04150
TCMT614 EGLN1 Egl nine homolog 1 Oxidoreductase Q9GZT9
TCMT629 ABCC1 Multidrug resistance-associated protein 1 Transporter P33527
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT747 ABCG2 ATP-binding cassette sub-family G member 2 Transporter Q9UNQ0
TCMT8 KDM4E Lysine-specific demethylase 4D-like Oxidoreductase B2RXH2
TCMT80 MAPK1 MAP kinase ERK2 Kinase P28482
TCMT81 ALOX12 Arachidonate 12-lipoxygenase Oxidoreductase P18054
TCMT82 ESR1 Estrogen receptor alpha Nuclear receptor P03372
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712
TCMT95 MPG DNA-3-methyladenine glycosylase Hydrolase P29372


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1099 Neuraminidase
TCMT1108 Integrase
TCMT1109 Reverse transcriptase
TCMT1178 Actinomyces viscosus
TCMT1212 Verticillium dahliae
TCMT1218 Staphylococcus aureus
TCMT1223 Staphylococcus epidermidis
TCMT1229 Enterococcus faecalis
TCMT1232 Pseudomonas aeruginosa
TCMT1251 Candida albicans
TCMT1289 Shigella dysenteriae
TCMT1294 Human parainfluenza virus 3
TCMT1346 Helicobacter pylori
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1438 Plasmodium falciparum
TCMT1442 Leishmania donovani
TCMT1443 Leishmania amazonensis
TCMT1447 Respiratory syncytial virus
TCMT1449 Influenza A virus
TCMT1450 Plasmodium falciparum 3D7
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1464 Hepatitis B virus
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC948
Formula: C9H8O3

Ingredient ID: TCMC923
Formula: C6H8O7

Ingredient ID: TCMC904
Formula: C5H14NO

Ingredient ID: TCMC893
Formula: C20H19NO5

Ingredient ID: TCMC892
Formula: C21H18NO4

Ingredient ID: TCMC858
Formula: C20H21NO4

Ingredient ID: TCMC847
Formula: C9H8O4

Ingredient ID: TCMC784
Formula: C20H18NO4

Ingredient ID: TCMC737
Formula: C21H20O11

Ingredient ID: TCMC7156
Formula: C43H32N2O9

Ingredient ID: TCMC69
Formula: C4H6O5

Ingredient ID: TCMC658
Formula: C21H23NO5

Ingredient ID: TCMC6560
Formula: C20H19NO5

Ingredient ID: TCMC6342
Formula: C20H16NO4

Ingredient ID: TCMC6023
Formula: C20H15NO5

Ingredient ID: TCMC527
Formula: C27H30O15

Ingredient ID: TCMC4928
Formula: C8H11NO

Ingredient ID: TCMC4325
Formula: C29H48O

Ingredient ID: TCMC4266
Formula: C5H9N3

Ingredient ID: TCMC4145
Formula: C19H17NO4

Ingredient ID: TCMC3953
Formula: C22H20NO5

Ingredient ID: TCMC3951
Formula: C20H13NO5

Ingredient ID: TCMC3774
Formula: C29H60O

Ingredient ID: TCMC3619
Formula: C21H23NO5

Ingredient ID: TCMC3592
Formula: C21H16NO5

Ingredient ID: TCMC3293
Formula: C19H40O

Ingredient ID: TCMC3238
Formula: C19H14NO4

Ingredient ID: TCMC3164
Formula: C5H15NO2

Ingredient ID: TCMC2928
Formula: C7H4O6

Ingredient ID: TCMC2917
Formula: C15H26N2

Ingredient ID: TCMC2908
Formula: C19H17NO4

Ingredient ID: TCMC2477
Formula: C27H30O15

Ingredient ID: TCMC2352
Formula: C20H19NO4

Ingredient ID: TCMC2291
Formula: C20H19NO5

Ingredient ID: TCMC2215
Formula: C24H40O4

Ingredient ID: TCMC2199
Formula: C8H11NO

Ingredient ID: TCMC2146
Formula: C20H21NO4

Ingredient ID: TCMC2111
Formula: C4H6O4

Ingredient ID: TCMC2044
Formula: C20H14NO4

Ingredient ID: TCMC2031
Formula: C27H30O16

Ingredient ID: TCMC1986
Formula: C21H20O11

Ingredient ID: TCMC1957
Formula: C20H19NO5

Ingredient ID: TCMC1839
Formula: C7H6O3

Ingredient ID: TCMC182
Formula: C9H8O4

Ingredient ID: TCMC1733
Formula: C28H32O16

Ingredient ID: TCMC1659
Formula: C20H19NO5

Ingredient ID: TCMC1656
Formula: C21H23NO5

Ingredient ID: TCMC1621
Formula: C20H21NO4

Ingredient ID: TCMC1409
Formula: C21H20O12

Ingredient ID: TCMC1330
Formula: C5H9N3

Ingredient ID: TCMC1237
Formula: C7H6O4

Ingredient ID: TCMC1180
Formula: C15H10O3

Ingredient ID: TCMC1173
Formula: C10H10O4

Ingredient ID: TCMC1047
Formula: C21H19NO4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC69 C4H6O5 (2R)-2-Hydroxybutanedioic Acid 134.02 -1.0622 1.35 -1.474 5 3 94.83 6 0 9 0
TCMC182 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
TCMC527 C27H30O15 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxychromen-4-One 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
TCMC658 C21H23NO5 Allocryptopine 369.16 -0.241 3.11 1.933 2 0 57.23 5 4 27 0
TCMC737 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
TCMC784 C20H18NO4 Berberine 336.12 -1.583 3.11 2.896 0 0 40.8 4 5 25 0
TCMC847 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
TCMC858 C20H21NO4 Canadine 339.15 -0.1023 3.11 2.475 1 0 40.16 4 5 25 0
TCMC892 C21H18NO4 Chelerythrine 348.12 -1.7479 3.22 3.37 0 0 40.8 5 5 26 0
TCMC893 C20H19NO5 Chelidonine (+) 353.13 -1.2831 3 1.604 2 1 60.39 2 6 26 0
TCMC904 C5H14NO Choline 104.11 -1.5741 1.79 -0.837 1 1 20.23 6 0 7 0
TCMC923 C6H8O7 Citric Acid 192.03 -1.395 1.35 -2.247 7 4 132.13 9 0 13 0
TCMC948 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
TCMC1047 C21H19NO4 Dihydrochelerythrine 349.13 -0.2792 3.22 3.232 1 0 40.16 5 5 26 0
TCMC1173 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
TCMC1180 C15H10O3 Flavonol 238.06 -0.96 2.78 5.648 2 1 46.53 2 3 18 1
TCMC1237 C7H6O4 Gentisic Acid 154.03 -1.1604 1.79 1.09 2 3 77.76 4 1 11 0
TCMC1330 C5H9N3 Histamine 111.08 -1.4467 1.68 -0.453 3 2 54.7 3 1 8 0
TCMC1409 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
TCMC1621 C20H21NO4 339.15 -0.1023 3.11 2.475 1 0 40.16 4 5 25 0
TCMC1656 C21H23NO5 369.16 -0.241 3.11 1.933 2 0 57.23 5 4 27 0
TCMC1659 C20H19NO5 353.13 -0.4401 3 1.86 2 0 57.23 1 5 26 0
TCMC1733 C28H32O16 Narcissin 624.17 -5.7305 2.78 -1.098 11 9 254.52 18 5 44 2
TCMC1839 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
TCMC1957 C20H19NO5 Protopine 353.13 -0.4401 3 1.86 2 0 57.23 1 5 26 0
TCMC1986 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
TCMC2031 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
TCMC2044 C20H14NO4 Sanguinarium 332.09 -1.947 3.11 3.297 0 0 40.8 1 6 25 0
TCMC2111 C4H6O4 Succinic Acid 118.03 -0.41 1.46 -0.71 4 2 74.6 5 0 8 0
TCMC2146 C20H21NO4 Tetrahydroberberine 339.15 -0.1023 3.11 2.475 1 0 40.16 4 5 25 0
TCMC2199 C8H11NO Tyramine 137.08 -0.943 2.12 1.104 1 2 46.25 4 1 10 0
TCMC2215 C24H40O4 Ursodiol 392.29 0.1067 3.66 6.178 4 3 77.76 10 4 28 1
TCMC2291 C20H19NO5 Chelidonine 353.13 -1.2831 3 1.604 2 1 60.39 2 6 26 0
TCMC2352 C20H19NO4 Dihydroberberine 337.13 -0.0933 3.11 3.48 1 0 40.16 4 5 25 0
TCMC2477 C27H30O15 Kaempferol-3-O-Rutinoside 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
TCMC2908 C19H17NO4 Stylopine 324.1235831 -1.7585 3 2.243 0 1 41.36 0 6 24 0
TCMC2917 C15H26N2 Sparteine 236.2252489 -5.22 2.89 1.802 0 2 8.88 0 4 17 0
TCMC2928 C7H4O6 Chelidonic Acid 181.9851378 -2.0575 1.57 -1.578 6 0 97.33 2 1 13 0
TCMC3164 C5H15NO2 Choline 104.1075391 -1.5741 1.79 -0.837 1 1 20.23 2 0 7 0
TCMC3238 C19H14NO4 Coptisine 320.0922829 -1.7821 3 2.823 0 0 40.8 0 6 24 0
TCMC3293 C19H40O Nonacasyl Alcohol-10 284.3079159 -5.0161 3.44 9.066 1 1 20.23 16 0 20 2
TCMC3592 C21H16NO5 Chelirubine 362.1028476 -1.9988 3.11 2.853 0 0 50.03 1 6 27 0
TCMC3619 C21H23NO5 Homochelidonine 370.1654479 -2.5411 3.11 1.518 1 2 61.59 2 5 27 0
TCMC3774 C29H60O 10-Nonacosanol 424.4644165 -7.8961 4.54 14.756 1 1 20.23 26 0 30 2
TCMC3951 C20H13NO5 Oxysanguinarine 347.0793725 -1.1379 3 2.786 2 0 57.23 0 6 26 0
TCMC3953 C22H20NO5 Chelilutine 378.1341477 -1.7997 3.22 2.926 0 0 50.03 3 5 28 0
TCMC4145 C19H17NO4 Stylopine 324.1235831 -1.7585 3 2.243 0 1 41.36 0 6 24 0
TCMC4266 C5H9N3 Histamine 111.0796473 -0.1949 1.68 -0.336 3 1 43.84 0 1 8 0
TCMC4325 C29H48O Α-Spinasterol 412.3705162 1.2566 4.54 11.261 1 1 20.23 5 4 30 1
TCMC4928 C8H11NO Tyramine 138.091889 -1.2169 2.12 0.623 0 1 17.58 0 2 10 0
TCMC6023 C20H15NO5 Sanguinarine 349.0950226 -1.3473 3 2.34 2 1 68.23 1 5 26 0
TCMC6342 C20H16NO4 Worenine 334.107933 -1.1401 3.11 2.935 0 0 40.8 0 6 25 0
TCMC6560 C20H19NO5 Chelidonine 353.1263227 -0.7619 3 2.102 2 0 57.23 2 5 26 0
TCMC7156 C43H32N2O9 Meso-Chelidimerine 720.2107806 -1.2748 4.98 5.817 3 0 97.39 4 12 54 1

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1. General Information of the Component  
2. TCM Prescriptions with the Component  
3. Putative Targets  
4. Activity & References for Filtering Putative Targets  
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)