Component: Trichosanthes kirilowii 栝楼仁


Description of the Component

Component ID
TCMH712
Latin Name
Trichosanthes kirilowii
English Name
NA
Chinese Pinyin Name
Gua Lou Ren(1)
中文名
栝楼仁
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity
NA
Geo-authentic habitats (道地产区)
NA
Reference
Chinese Pharmacopoeia (2015)
Barcode ID
ITSAO4359-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMF7360 Chai Xian Decoction 柴陷汤
TCMF2734 Combined Minor Buplerum Decoction and Minor Chest Congestion Decoction 柴陷汤

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
TCMT11 HIF1A Hypoxia-inducible factor 1 alpha Transcription factor Q16665
TCMT112 ADORA3 Adenosine A3 receptor GPCR P0DMS8
TCMT125 GBA Beta-glucocerebrosidase Hydrolase P04062
TCMT126 TERT Telomerase reverse transcriptase Transferase O14746
TCMT127 PARP1 Poly [ADP-ribose] polymerase-1 Transferase P09874
TCMT128 TNKS2 Tankyrase-2 Transferase Q9H2K2
TCMT129 TNKS Tankyrase-1 Transferase O95271
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
TCMT136 CA12 Carbonic anhydrase XII Lyase O43570
TCMT138 CA7 Carbonic anhydrase VII Lyase P43166
TCMT142 CA4 Carbonic anhydrase IV Lyase P22748
TCMT150 RORC Nuclear receptor ROR-gamma Nuclear receptor P51449
TCMT156 CYP19A1 Cytochrome P450 19A1 Oxidoreductase P11511
TCMT158 EPHX2 Epoxide hydratase Lyase P34913
TCMT160 HTR7 Serotonin 7 (5-HT7) receptor GPCR P34969
TCMT162 UGT1A1 UDP-glucuronosyltransferase 1-1 Transferase P22309
TCMT164 PTGS1 Cyclooxygenase-1 Oxidoreductase P23219
TCMT17 POLB DNA polymerase beta Transferase P06746
TCMT176 SOAT1 Acyl coenzyme A:cholesterol acyltransferase 1 Transferase P35610
TCMT18 GAA Lysosomal alpha-glucosidase Hydrolase P10253
TCMT187 AR Androgen Receptor Nuclear receptor P10275
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT206 CYP2A6 Cytochrome P450 2A6 Oxidoreductase P11509
TCMT207 BACE1 Beta-secretase 1 Protease P56817
TCMT215 CYP1A1 Cytochrome P450 1A1 Oxidoreductase P04798
TCMT219 CYP1A2 Cytochrome P450 1A2 Oxidoreductase P05177
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT239 PIM1 Serine/threonine-protein kinase PIM1 Kinase P11309
TCMT240 AMY1A Salivary alpha-amylase Unclassified P04745
TCMT248 CXCL8 Interleukin-8 Unclassified P10145
TCMT249 CDK6 Cyclin-dependent kinase 6 Kinase Q00534
TCMT257 CYP1B1 Cytochrome P450 1B1 Oxidoreductase Q16678
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
TCMT267 GABRR1 GABA receptor rho-1 subunit Ion channel P24046
TCMT27 DRD1 Dopamine D1 receptor GPCR P21728
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
TCMT296 ADORA1 Adenosine A1 receptor GPCR P30542
TCMT297 FABP4 Fatty acid binding protein adipocyte Unclassified P15090
TCMT298 FABP3 Fatty acid binding protein muscle Hydrolase P05413
TCMT3 ALOX15 Arachidonate 15-lipoxygenase Oxidoreductase P16050
TCMT30 PTGS2 Cyclooxygenase-2 Oxidoreductase P35354
TCMT306 MMP2 Matrix metalloproteinase-2 Hydrolase P08253
TCMT31 CYP2C19 Cytochrome P450 2C19 Oxidoreductase P33261
TCMT320 MMP3 Matrix metalloproteinase 3 Hydrolase P08254
TCMT321 MMP9 Matrix metalloproteinase 9 Hydrolase P14780
TCMT322 MMP13 Matrix metalloproteinase 13 Hydrolase P45452
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT331 PLG Plasminogen Unclassified P00747
TCMT34 CYP2D6 Cytochrome P450 2D6 Oxidoreductase P10635
TCMT341 NR1I2 Pregnane X receptor Nuclear receptor O75469
TCMT377 INSR Insulin receptor Kinase P06213
TCMT39 PDE5A Phosphodiesterase 5A Hydrolase O76074
TCMT41 IDH1 Isocitrate dehydrogenase [NADP] cytoplasmic Oxidoreductase O75874
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT423 EGFR Epidermal growth factor receptor erbB1 Kinase P00533
TCMT44 GLO1 Glyoxalase I Lyase Q04760
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT46 F3 Coagulation factor III Unclassified P13726
TCMT47 BCL2 Apoptosis regulator Bcl-2 Ion channel P10415
TCMT508 SYK Tyrosine-protein kinase SYK Kinase P43405
TCMT558 TOP2A DNA topoisomerase II alpha Isomerase P11388
TCMT571 ADORA2B Adenosine A2b receptor GPCR P29275
TCMT59 BCL2L1 Apoptosis regulator Bcl-X Ion channel Q07817
TCMT592 XDH Xanthine dehydrogenase Oxidoreductase P47989
TCMT597 SLC28A3 Solute carrier family 28 member 3 Transporter Q9HAS3
TCMT598 TOP1 DNA topoisomerase I Isomerase P11387
TCMT6 NFKB1 Nuclear factor NF-kappa-B p105 subunit Transcription factor P19838
TCMT60 FASN Fatty acid synthase Unclassified P49327
TCMT620 HSPA8 Heat shock cognate 71 kDa protein Unclassified P11142
TCMT629 ABCC1 Multidrug resistance-associated protein 1 Transporter P33527
TCMT63 PPARA Peroxisome proliferator-activated receptor alpha Nuclear receptor Q07869
TCMT632 PNP Purine nucleoside phosphorylase Transferase P00491
TCMT64 PPARD Peroxisome proliferator-activated receptor delta Nuclear receptor Q03181
TCMT65 HSD17B1 Estradiol 17-beta-dehydrogenase 1 Oxidoreductase P14061
TCMT66 HSD17B2 Estradiol 17-beta-dehydrogenase 2 Oxidoreductase P37059
TCMT67 PPARG Peroxisome proliferator-activated receptor gamma Nuclear receptor P37231
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT704 ERBB2 Receptor protein-tyrosine kinase erbB-2 Kinase P04626
TCMT707 ADORA2A Adenosine A2a receptor GPCR P29274
TCMT709 SLC28A2 Sodium/nucleoside cotransporter 2 Transporter O43868
TCMT710 SLC28A1 Sodium/nucleoside cotransporter 1 Transporter O00337
TCMT734 MMP12 Matrix metalloproteinase 12 Hydrolase P39900
TCMT739 GPR35 G-protein coupled receptor 35 GPCR Q9HC97
TCMT747 ABCG2 ATP-binding cassette sub-family G member 2 Transporter Q9UNQ0
TCMT752 CSNK2A1 Casein kinase II alpha Kinase P68400
TCMT8 KDM4E Lysine-specific demethylase 4D-like Oxidoreductase B2RXH2
TCMT80 MAPK1 MAP kinase ERK2 Kinase P28482
TCMT808 FABP5 Fatty acid binding protein epidermal Unclassified Q01469
TCMT809 FABP2 Fatty acid binding protein intestinal Unclassified P12104
TCMT81 ALOX12 Arachidonate 12-lipoxygenase Oxidoreductase P18054
TCMT810 TLR2 Toll-like receptor 2 Unclassified O60603
TCMT82 ESR1 Estrogen receptor alpha Nuclear receptor P03372
TCMT83 CD38 Lymphocyte differentiation antigen CD38 Unclassified P28907
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712
TCMT99 SHBG Testis-specific androgen-binding protein Unclassified P04278


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1090 Human immunodeficiency virus type 1 integrase
TCMT1092 Fatty acid synthase
TCMT1093 Enoyl-acyl-carrier protein reductase
TCMT1094 3-oxoacyl-acyl-carrier protein reductase
TCMT1099 Neuraminidase
TCMT1121 Sialidase
TCMT1189 Pseudomonas fluorescens
TCMT1212 Verticillium dahliae
TCMT1213 Neisseria gonorrhoeae
TCMT1218 Staphylococcus aureus
TCMT1226 Klebsiella pneumoniae
TCMT1229 Enterococcus faecalis
TCMT1232 Pseudomonas aeruginosa
TCMT1246 Escherichia coli
TCMT1251 Candida albicans
TCMT1253 Penicillium chrysogenum
TCMT1294 Human parainfluenza virus 3
TCMT1346 Helicobacter pylori
TCMT1349 Helicobacter pylori SS1
TCMT1361 Neisseria meningitidis
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1412 Salmonella typhimurium
TCMT1438 Plasmodium falciparum
TCMT1442 Leishmania donovani
TCMT1448 Enterobacter aerogenes
TCMT1449 Influenza A virus
TCMT1454 Bacillus subtilis
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC999
Formula: C10H20O2

Ingredient ID: TCMC910
Formula: C16H12O6

Ingredient ID: TCMC801
Formula: C29H50O

Ingredient ID: TCMC774
Formula: C7H8O

Ingredient ID: TCMC761
Formula: C7H6O

Ingredient ID: TCMC711
Formula: C21H20O10

Ingredient ID: TCMC710
Formula: C15H10O5

Ingredient ID: TCMC632
Formula: C10H13N5O4

Ingredient ID: TCMC553
Formula: C6H6O3

Ingredient ID: TCMC395
Formula: C9H16O

Ingredient ID: TCMC329
Formula: C8H10O

Ingredient ID: TCMC29
Formula: C20H26O6

Ingredient ID: TCMC274
Formula: C6H14O

Ingredient ID: TCMC2560
Formula: C9H20O

Ingredient ID: TCMC250
Formula: C12H12

Ingredient ID: TCMC2491
Formula: C3H6O2

Ingredient ID: TCMC2432
Formula: C20H34O2

Ingredient ID: TCMC2222
Formula: C8H8O4

Ingredient ID: TCMC2107
Formula: C29H48O

Ingredient ID: TCMC2105
Formula: C18H36O2

Ingredient ID: TCMC2031
Formula: C27H30O16

Ingredient ID: TCMC1832
Formula: C16H30O2

Ingredient ID: TCMC1830
Formula: C16H32O2

Ingredient ID: TCMC1611
Formula: C14H28O2

Ingredient ID: TCMC1516
Formula: C15H10O6

Ingredient ID: TCMC1496
Formula: C18H30O2

Ingredient ID: TCMC1495
Formula: C18H32O2

Ingredient ID: TCMC1209
Formula: C4H9NO2

Ingredient ID: TCMC1197
Formula: C5H4O2

Ingredient ID: TCMC1141
Formula: C20H34O2

Ingredient ID: TCMC1101
Formula: C11H12O3

Ingredient ID: TCMC1081
Formula: C12H24O2

Ingredient ID: TCMC1064
Formula: C16H12O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC29 C20H26O6 (+)-Secoisolariciresinol 362.17 -1.8914 3 1.708 2 4 99.38 15 2 26 0
TCMC250 C12H12 1,5-Dimethylnaphthalene 156.09 1.284 2.78 6.584 0 0 0 2 2 12 1
TCMC274 C6H14O 1-Hexanol 102.1 -1.5494 2.01 1.989 1 1 20.23 6 0 7 0
TCMC329 C8H10O 2,4-Dimethylphenol 122.07 0.8237 2.23 2.479 0 1 20.23 3 1 9 0
TCMC395 C9H16O 2-Nonenal 140.12 -0.6764 2.34 3.557 1 0 17.07 7 0 10 0
TCMC553 C6H6O3 5-Hydroxymethyl-Furfural 126.03 -0.7952 1.79 0.422 2 1 50.44 3 1 9 0
TCMC632 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
TCMC710 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
TCMC711 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
TCMC761 C7H6O Benzaldehyde 106.04 -0.1924 2.12 3.08 1 0 17.07 1 1 8 0
TCMC774 C7H8O Benzyl Alcohol 108.06 -0.4487 2.12 2.409 1 1 20.23 2 1 8 0
TCMC801 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
TCMC910 C16H12O6 Chrysoeriol 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
TCMC999 C10H20O2 Decanoic Acid 172.15 -2.1697 2.34 4.156 2 1 37.3 10 0 12 0
TCMC1064 C16H12O6 Diosmetin 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
TCMC1081 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
TCMC1101 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
TCMC1141 C20H34O2 Ethyl (9E,12E,15E)-Octadeca-9,12,15-Trienoate 306.26 0.4035 3.44 8.282 2 0 26.3 17 0 22 2
TCMC1197 C5H4O2 Furfural 96.02 -0.3465 1.79 1.057 1 0 30.21 1 1 7 0
TCMC1209 C4H9NO2 Gamma-Aminobutyric Acid 103.06 -1.2313 1.57 -0.668 3 2 63.32 5 0 7 0
TCMC1495 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
TCMC1496 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
TCMC1516 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
TCMC1611 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
TCMC1830 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
TCMC1832 C16H30O2 Palmitoleic Acid 254.22 -1.7667 3 7.054 2 1 37.3 15 0 18 2
TCMC2031 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
TCMC2105 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
TCMC2107 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
TCMC2222 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
TCMC2432 C20H34O2 Plaunotol 306.26 3.7134 3.44 4.287 2 2 40.46 17 0 22 1
TCMC2491 C3H6O2 Propionic Acid 74.04 -0.1537 1.57 0.173 2 1 37.3 3 0 5 0
TCMC2560 C9H20O Nonanol 144.15 -2.4134 2.34 3.696 1 1 20.23 9 0 10 0

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3. Putative Targets  
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