Component: Angelica pubescens 川独活


Description of the Component

Component ID
TCMH279
Latin Name
Angelica pubescens
English Name
Doubleteeth pubescent angelica
Chinese Pinyin Name
Chuan Du Huo
中文名
川独活
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity
NA
Geo-authentic habitats (道地产区)
NA
Reference
Chinese Classical Prescriptions
Barcode ID
ITSAF170-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMF2843 Da Qin Jiao Decoction 大秦艽汤
TCMF2833 San Bi Decoction 三痹汤

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
TCMT101 PTPN1 Protein-tyrosine phosphatase 1B Hydrolase P18031
TCMT11 HIF1A Hypoxia-inducible factor 1 alpha Transcription factor Q16665
TCMT125 GBA Beta-glucocerebrosidase Hydrolase P04062
TCMT13 APEX1 DNA-(apurinic or apyrimidinic site) lyase Lyase P27695
TCMT130 ALOX5 Arachidonate 5-lipoxygenase Oxidoreductase P09917
TCMT131 ACHE Acetylcholinesterase Hydrolase P22303
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
TCMT150 RORC Nuclear receptor ROR-gamma Nuclear receptor P51449
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
TCMT17 POLB DNA polymerase beta Transferase P06746
TCMT174 HSD11B1 11-beta-hydroxysteroid dehydrogenase 1 Oxidoreductase P28845
TCMT18 GAA Lysosomal alpha-glucosidase Hydrolase P10253
TCMT189 DUSP3 Dual specificity protein phosphatase 3 Hydrolase P51452
TCMT191 STAT3 Signal transducer and activator of transcription 3 Transcription factor P40763
TCMT193 RELA Nuclear factor NF-kappa-B p65 subunit Transcription factor Q04206
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT206 CYP2A6 Cytochrome P450 2A6 Oxidoreductase P11509
TCMT207 BACE1 Beta-secretase 1 Protease P56817
TCMT208 MAOA Monoamine oxidase A Oxidoreductase P21397
TCMT212 SRC Tyrosine-protein kinase SRC Kinase P12931
TCMT22 ALPI Intestinal alkaline phosphatase Hydrolase P09923
TCMT223 AKR1B1 Aldose reductase Oxidoreductase P15121
TCMT225 CA13 Carbonic anhydrase XIII Lyase Q8N1Q1
TCMT23 ALPL Alkaline phosphatase, tissue-nonspecific isozyme Hydrolase P05186
TCMT232 ABCB1 P-glycoprotein 1 Transporter P08183
TCMT240 AMY1A Salivary alpha-amylase Unclassified P04745
TCMT248 CXCL8 Interleukin-8 Unclassified P10145
TCMT260 FLT3 Tyrosine-protein kinase receptor FLT3 Kinase P36888
TCMT265 GSK3B Glycogen synthase kinase-3 beta Kinase P49841
TCMT267 GABRR1 GABA receptor rho-1 subunit Ion channel P24046
TCMT268 CYP2A13 Cytochrome P450 2A13 Oxidoreductase Q16696
TCMT27 DRD1 Dopamine D1 receptor GPCR P21728
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
TCMT280 AKR1B10 Aldo-keto reductase family 1 member B10 Oxidoreductase O60218
TCMT3 ALOX15 Arachidonate 15-lipoxygenase Oxidoreductase P16050
TCMT30 PTGS2 Cyclooxygenase-2 Oxidoreductase P35354
TCMT31 CYP2C19 Cytochrome P450 2C19 Oxidoreductase P33261
TCMT33 CYP3A4 Cytochrome P450 3A4 Oxidoreductase P08684
TCMT331 PLG Plasminogen Unclassified P00747
TCMT337 XPO1 Exportin-1 Unclassified O14980
TCMT34 CYP2D6 Cytochrome P450 2D6 Oxidoreductase P10635
TCMT354 AURKA Serine/threonine-protein kinase Aurora-A Kinase O14965
TCMT369 IGF1R Insulin-like growth factor I receptor Kinase P08069
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
TCMT401 MET Hepatocyte growth factor receptor Kinase P08581
TCMT41 IDH1 Isocitrate dehydrogenase [NADP] cytoplasmic Oxidoreductase O75874
TCMT418 EPHB4 Ephrin type-B receptor 4 Kinase P54760
TCMT42 KMT2A Histone-lysine N-methyltransferase MLL Transferase Q03164
TCMT423 EGFR Epidermal growth factor receptor erbB1 Kinase P00533
TCMT436 NUAK1 NUAK family SNF1-like kinase 1 Kinase O60285
TCMT441 PTK2 Focal adhesion kinase 1 Kinase Q05397
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT457 FLT4 Vascular endothelial growth factor receptor 3 Kinase P35916
TCMT47 BCL2 Apoptosis regulator Bcl-2 Ion channel P10415
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
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
TCMT601 F2 Thrombin Unclassified P00734
TCMT609 CTSL Cathepsin L Unclassified P07711
TCMT61 MCL1 Induced myeloid leukemia cell differentiation protein Mcl-1 Unclassified Q07820
TCMT620 HSPA8 Heat shock cognate 71 kDa protein Unclassified P11142
TCMT626 BRAF Serine/threonine-protein kinase B-raf Kinase P15056
TCMT689 TGM2 Protein-glutamine gamma-glutamyltransferase Transferase P21980
TCMT69 THRB Thyroid hormone receptor beta-1 Nuclear receptor P10828
TCMT704 ERBB2 Receptor protein-tyrosine kinase erbB-2 Kinase P04626
TCMT721 HSPA1A Heat shock 70 kDa protein 1 Unclassified P0DMV8
TCMT739 GPR35 G-protein coupled receptor 35 GPCR Q9HC97
TCMT751 DYRK1A Dual-specificity tyrosine-phosphorylation regulated kinase 1A Kinase Q13627
TCMT752 CSNK2A1 Casein kinase II alpha Kinase P68400
TCMT753 SMAD3 Mothers against decapentaplegic homolog 3 Unclassified P84022
TCMT754 GSTP1 Glutathione S-transferase Pi Transferase P09211
TCMT755 PLK4 Serine/threonine-protein kinase PLK4 Kinase O00444
TCMT756 MAP3K8 Mitogen-activated protein kinase kinase kinase 8 Kinase P41279
TCMT757 CARM1 Histone-arginine methyltransferase CARM1 Transferase Q86X55
TCMT8 KDM4E Lysine-specific demethylase 4D-like Oxidoreductase B2RXH2
TCMT80 MAPK1 MAP kinase ERK2 Kinase P28482
TCMT82 ESR1 Estrogen receptor alpha Nuclear receptor P03372
TCMT822 FUT7 Alpha-(1,3)-fucosyltransferase 7 Transferase Q11130
TCMT83 CD38 Lymphocyte differentiation antigen CD38 Unclassified P28907
TCMT87 CYP2C9 Cytochrome P450 2C9 Oxidoreductase P11712


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1090 Human immunodeficiency virus type 1 integrase
TCMT1108 Integrase
TCMT1109 Reverse transcriptase
TCMT1112 Quinolone resistance protein norA
TCMT1121 Sialidase
TCMT1136 Neuraminidase
TCMT1175 Human immunodeficiency virus
TCMT1178 Actinomyces viscosus
TCMT1190 Plasmodium falciparum (isolate FcB1 / Columbia)
TCMT1209 Staphylococcus haemolyticus
TCMT1210 Streptococcus sobrinus
TCMT1211 Fusobacterium nucleatum
TCMT1218 Staphylococcus aureus
TCMT1223 Staphylococcus epidermidis
TCMT1226 Klebsiella pneumoniae
TCMT1229 Enterococcus faecalis
TCMT1246 Escherichia coli
TCMT1251 Candida albicans
TCMT1294 Human parainfluenza virus 3
TCMT1321 Staphylococcus hominis
TCMT1343 Staphylococcus simulans
TCMT1344 Staphylococcus sciuri
TCMT1346 Helicobacter pylori
TCMT1349 Helicobacter pylori SS1
TCMT1370 Prevotella melaninogenica
TCMT1382 Plasmodium falciparum (isolate K1 / Thailand)
TCMT1412 Salmonella typhimurium
TCMT1438 Plasmodium falciparum
TCMT1443 Leishmania amazonensis
TCMT1447 Respiratory syncytial virus
TCMT1448 Enterobacter aerogenes
TCMT1449 Influenza A virus
TCMT1450 Plasmodium falciparum 3D7
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1458 Filobasidiella neoformans
TCMT1462 Streptococcus mutans
TCMT1463 Mycobacterium tuberculosis
TCMT1465 Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC936
Formula: C14H14O4

Ingredient ID: TCMC935
Formula: C19H20O5

Ingredient ID: TCMC897
Formula: C16H18O9

Ingredient ID: TCMC787
Formula: C12H8O4

Ingredient ID: TCMC737
Formula: C21H20O11

Ingredient ID: TCMC697
Formula: C11H6O3

Ingredient ID: TCMC668
Formula: C15H26O

Ingredient ID: TCMC65
Formula: C14H14O4

Ingredient ID: TCMC591
Formula: C15H18O5

Ingredient ID: TCMC535
Formula: C16H16O5

Ingredient ID: TCMC469
Formula: C25H24O12

Ingredient ID: TCMC418
Formula: C25H24O12

Ingredient ID: TCMC321
Formula: C15H10O

Ingredient ID: TCMC2279
Formula: C15H10O7

Ingredient ID: TCMC2204
Formula: C9H6O3

Ingredient ID: TCMC2166
Formula: C10H14O

Ingredient ID: TCMC2101
Formula: C12H8O4

Ingredient ID: TCMC2051
Formula: C10H8O4

Ingredient ID: TCMC1961
Formula: C11H6O3

Ingredient ID: TCMC196
Formula: C20H24O7

Ingredient ID: TCMC1858
Formula: C16H14O4

Ingredient ID: TCMC1843
Formula: C7H8O

Ingredient ID: TCMC1803
Formula: C15H16O3

Ingredient ID: TCMC1751
Formula: C9H20

Ingredient ID: TCMC1608
Formula: C10H16

Ingredient ID: TCMC1551
Formula: C12H8O4

Ingredient ID: TCMC1446
Formula: C21H20O11

Ingredient ID: TCMC1436
Formula: C20H30O2

Ingredient ID: TCMC1409
Formula: C21H20O12

Ingredient ID: TCMC1404
Formula: C13H10O5

Ingredient ID: TCMC1396
Formula: C16H10N2O2

Ingredient ID: TCMC1395
Formula: C16H14O4

Ingredient ID: TCMC1382
Formula: C12H8O4

Ingredient ID: TCMC13
Formula: C15H14O6

Ingredient ID: TCMC1209
Formula: C4H9NO2

Ingredient ID: TCMC1202
Formula: C7H6O5

Ingredient ID: TCMC1173
Formula: C10H10O4

Ingredient ID: TCMC1102
Formula: C14H6O8

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
TCMC13 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
TCMC65 C14H14O4 (2R)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydrofuro[3,2-G]Chromen-7-One 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
TCMC196 C20H24O7 [(1R,2R)-2,3-Dihydroxy-1-(7-Methoxy-2-Oxochromen-6-Yl)-3-Methylbutyl] (E)-2-Methylbut-2-Enoate 376.15 1.0535 2.89 2.301 5 2 102.29 14 2 27 0
TCMC321 C15H10O 2,3-Diphenylcycloprop-2-En-1-One 206.07 -0.1872 3 6.584 1 0 17.07 2 3 16 1
TCMC418 C25H24O12 3,4-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
TCMC469 C25H24O12 4,5-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
TCMC535 C16H16O5 5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One 288.1 1.3521 2.67 1.984 2 0 61.83 8 2 21 0
TCMC591 C15H18O5 8-(2,3-Dihydroxy-3-Methylbutyl)-7-Methoxychromen-2-One 278.12 -0.0963 2.56 1.594 3 2 75.99 9 2 20 0
TCMC668 C15H26O Alpha-Bisabolol 222.2 2.7502 3 4.085 1 1 20.23 9 1 16 0
TCMC697 C11H6O3 Angelicin 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
TCMC737 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
TCMC787 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC897 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
TCMC935 C19H20O5 Columbianadin 328.13 1.9846 3 3.83 3 0 61.83 8 3 24 0
TCMC936 C14H14O4 Columbianetin 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
TCMC1102 C14H6O8 Ellagic Acid 302.01 -2.0234 2.12 -0.046 2 4 133.52 4 4 22 0
TCMC1173 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
TCMC1202 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
TCMC1209 C4H9NO2 Gamma-Aminobutyric Acid 103.06 -1.2313 1.57 -0.668 3 2 63.32 5 0 7 0
TCMC1382 C12H8O4 Isobergaptene 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC1395 C16H14O4 Isoimperatorin 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
TCMC1396 C16H10N2O2 Isoindigo 262.07 -0.0866 2.78 4.42 4 2 65.18 2 4 20 0
TCMC1404 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
TCMC1409 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
TCMC1436 C20H30O2 Kaurenoic Acid 302.22 1.3222 3.44 6.629 2 1 37.3 4 4 22 1
TCMC1446 C21H20O11 Kuromanin 450.12 -4.0484 2.56 -0.795 6 9 180.3 12 4 32 1
TCMC1551 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC1608 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
TCMC1751 C9H20 Nonane 128.16 -1.9134 2.45 5.461 0 0 0 8 0 9 1
TCMC1803 C15H16O3 Osthole 244.11 2.0956 2.78 3.521 1 0 35.53 6 2 18 0
TCMC1843 C7H8O P-Cresol 108.06 0.1817 2.12 2.367 0 1 20.23 2 1 8 0
TCMC1858 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
TCMC1961 C11H6O3 Psoralen 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
TCMC2051 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
TCMC2101 C12H8O4 Sphondin 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
TCMC2166 C10H14O Thymol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
TCMC2204 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
TCMC2279 C15H10O7 Herbacetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0

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