Component ID |
TCMH1538 |
Latin Name |
Baphicacanthus cusia |
English Name |
Indigowoad root |
Chinese Pinyin Name |
Nan Ban Lan Gen Jin Gao Fen |
中文名 |
南板蓝根浸膏粉 |
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 |
ITSAM1599-14 |
Barcode Source |
BOLDSYSTEMS |
Prescription ID | Prescription English Name | Prescription Chinese Name |
---|---|---|
TCMFx3206 | Fu Fang Xiao Er Tui Re Shuan | 复方小儿退热栓 |
Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
---|---|---|---|---|
TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
TCMT11 | HIF1A | Hypoxia-inducible factor 1 alpha | Transcription factor | Q16665 |
TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
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 |
TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT164 | PTGS1 | Cyclooxygenase-1 | Oxidoreductase | P23219 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT186 | MAOB | Monoamine oxidase B | Oxidoreductase | P27338 |
TCMT187 | AR | Androgen Receptor | Nuclear receptor | P10275 |
TCMT191 | STAT3 | Signal transducer and activator of transcription 3 | Transcription factor | P40763 |
TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
TCMT208 | MAOA | Monoamine oxidase A | Oxidoreductase | P21397 |
TCMT211 | CES1 | Acyl coenzyme A:cholesterol acyltransferase | Transferase | P23141 |
TCMT215 | CYP1A1 | Cytochrome P450 1A1 | Oxidoreductase | P04798 |
TCMT219 | CYP1A2 | Cytochrome P450 1A2 | Oxidoreductase | P05177 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT236 | ESR2 | Estrogen receptor beta | Nuclear receptor | Q92731 |
TCMT237 | SLC5A1 | Sodium/glucose cotransporter 1 | Transporter | P13866 |
TCMT238 | SLC5A2 | Sodium/glucose cotransporter 2 | Transporter | P31639 |
TCMT239 | PIM1 | Serine/threonine-protein kinase PIM1 | Kinase | P11309 |
TCMT240 | AMY1A | Salivary alpha-amylase | Unclassified | P04745 |
TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
TCMT254 | CBR1 | Carbonyl reductase [NADPH] 1 | Oxidoreductase | P16152 |
TCMT257 | CYP1B1 | Cytochrome P450 1B1 | Oxidoreductase | Q16678 |
TCMT260 | FLT3 | Tyrosine-protein kinase receptor FLT3 | Kinase | P36888 |
TCMT265 | GSK3B | Glycogen synthase kinase-3 beta | Kinase | P49841 |
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 |
TCMT280 | AKR1B10 | Aldo-keto reductase family 1 member B10 | Oxidoreductase | O60218 |
TCMT281 | DPP4 | Dipeptidyl peptidase IV | Unclassified | P27487 |
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 |
TCMT336 | IDO1 | Indoleamine 2,3-dioxygenase | Oxidoreductase | P14902 |
TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
TCMT341 | NR1I2 | Pregnane X receptor | Nuclear receptor | O75469 |
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 |
TCMT46 | F3 | Coagulation factor III | Unclassified | P13726 |
TCMT558 | TOP2A | DNA topoisomerase II alpha | Isomerase | P11388 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
TCMT619 | HSP90AA1 | Heat shock protein HSP 90-alpha | Unclassified | P07900 |
TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
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 |
TCMT689 | TGM2 | Protein-glutamine gamma-glutamyltransferase | Transferase | P21980 |
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 |
TCMT822 | FUT7 | Alpha-(1,3)-fucosyltransferase 7 | Transferase | Q11130 |
TCMT827 | NQO1 | Quinone reductase 1) | Oxidoreductase | P15559 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
TCMT99 | SHBG | Testis-specific androgen-binding protein | Unclassified | P04278 |
Target ID | Target Name |
---|---|
TCMT1090 | Human immunodeficiency virus type 1 integrase |
TCMT1092 | Fatty acid synthase |
TCMT1099 | Neuraminidase |
TCMT1136 | Neuraminidase |
TCMT1176 | Streptococcus pneumoniae |
TCMT1178 | Actinomyces viscosus |
TCMT1181 | Mycobacterium tuberculosis H37Ra |
TCMT1218 | Staphylococcus aureus |
TCMT1221 | Human herpesvirus 4 |
TCMT1226 | Klebsiella pneumoniae |
TCMT1229 | Enterococcus faecalis |
TCMT1231 | Human herpesvirus 1 strain KOS |
TCMT1243 | Aspergillus flavus |
TCMT1246 | Escherichia coli |
TCMT1251 | Candida albicans |
TCMT1255 | Human immunodeficiency virus 1 |
TCMT1284 | Penicillium expansum |
TCMT1353 | Plasmodium yoelii |
TCMT1438 | Plasmodium falciparum |
TCMT1439 | Mycobacterium smegmatis |
TCMT1442 | Leishmania donovani |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
TCMT1458 | Filobasidiella neoformans |
TCMT1463 | Mycobacterium tuberculosis |
TCMT1465 | Entamoeba histolytica |
Ingredient ID: TCMC983
Formula: C15H10O4
Ingredient ID: TCMC860
Formula: C23H13N3O2
Ingredient ID: TCMC855
Formula: C16H12O5
Ingredient ID: TCMC811
Formula: C16H12O5
Ingredient ID: TCMC804
Formula: C30H48O3
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC791
Formula: C40H56
Ingredient ID: TCMC721
Formula: C6H14N4O2
Ingredient ID: TCMC309
Formula: C14H17NO6
Ingredient ID: TCMC2233
Formula: C21H20O10
Ingredient ID: TCMC2197
Formula: C11H12N2O2
Ingredient ID: TCMC2196
Formula: C15H8N2O2
Ingredient ID: TCMC2190
Formula: C7H7NO2
Ingredient ID: TCMC2188
Formula: C17H14O7
Ingredient ID: TCMC2158
Formula: C12H17N4OS
Ingredient ID: TCMC1811
Formula: C8H7NO
Ingredient ID: TCMC1734
Formula: C15H12O5
Ingredient ID: TCMC1496
Formula: C18H30O2
Ingredient ID: TCMC1403
Formula: C21H20O11
Ingredient ID: TCMC1396
Formula: C16H10N2O2
Ingredient ID: TCMC1377
Formula: C8H5NO2
Ingredient ID: TCMC1370
Formula: C16H10N2O2
Ingredient ID: TCMC1202
Formula: C7H6O5
Ingredient ID: TCMC1186
Formula: C16H12O4
Ingredient ID: TCMC1072
Formula: C27H42O3
Ingredient ID: TCMC1063
Formula: C45H72O16
Ingredient ID: TCMC1024
Formula: C6H9N3O2
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC309 | C14H17NO6 | 2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Oxane-3,4,5-Triol | 295.11 | -2.6276 | 2.23 | 0.379 | 6 | 5 | 115.17 | 7 | 3 | 21 | 0 |
TCMC721 | C6H14N4O2 | Arginine | 174.11 | -2.1807 | 1.46 | -2.924 | 6 | 5 | 125.22 | 9 | 0 | 12 | 0 |
TCMC791 | C40H56 | Beta Carotene | 536.44 | 8.935 | 5.86 | 14.734 | 0 | 0 | 0 | 20 | 2 | 40 | 1 |
TCMC801 | C29H50O | Beta-Sitosterol | 414.39 | 1.3 | 4.54 | 11.595 | 1 | 1 | 20.23 | 13 | 4 | 30 | 1 |
TCMC804 | C30H48O3 | Betulinic Acid | 456.36 | 2.3495 | 4.43 | 9.407 | 3 | 2 | 57.53 | 10 | 5 | 33 | 1 |
TCMC811 | C16H12O5 | Biochanin | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
TCMC855 | C16H12O5 | Calycosin | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
TCMC860 | C23H13N3O2 | Candidine | 363.1 | -1.4589 | 3.44 | 6.186 | 5 | 1 | 61.77 | 0 | 6 | 28 | 1 |
TCMC983 | C15H10O4 | Daidzein | 254.06 | -1.5873 | 2.67 | 2.475 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
TCMC1024 | C6H9N3O2 | D-Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
TCMC1063 | C45H72O16 | Dioscin | 868.48 | -3.9636 | 4.65 | 2.836 | 16 | 8 | 235.68 | 21 | 9 | 61 | 2 |
TCMC1072 | C27H42O3 | Disogenin | 414.31 | 0.2771 | 4.1 | 6.041 | 3 | 1 | 38.69 | 5 | 6 | 30 | 1 |
TCMC1186 | C16H12O4 | Formononetin | 268.07 | -1.1788 | 2.78 | 2.994 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
TCMC1202 | C7H6O5 | Gallic Acid | 170.02 | -1.6207 | 1.68 | 0.002 | 2 | 4 | 97.99 | 5 | 1 | 12 | 0 |
TCMC1370 | C16H10N2O2 | Indigo | 262.07 | -1.7942 | 2.78 | 4.628 | 4 | 2 | 58.2 | 0 | 4 | 20 | 0 |
TCMC1377 | C8H5NO2 | Isatin | 147.03 | -0.8986 | 2.01 | 1.653 | 3 | 1 | 46.17 | 0 | 2 | 11 | 0 |
TCMC1396 | C16H10N2O2 | Isoindigo | 262.07 | -0.0866 | 2.78 | 4.42 | 4 | 2 | 65.18 | 2 | 4 | 20 | 0 |
TCMC1403 | C21H20O11 | Isoorientin | 448.1 | -4.5805 | 2.56 | -1.042 | 6 | 8 | 197.37 | 11 | 4 | 32 | 1 |
TCMC1496 | C18H30O2 | Linolenic Acid | 278.22 | -0.0979 | 3.22 | 7.538 | 2 | 1 | 37.3 | 15 | 0 | 20 | 2 |
TCMC1734 | C15H12O5 | Naringenin | 272.07 | -1.8144 | 2.56 | 0.897 | 1 | 3 | 86.99 | 4 | 3 | 20 | 0 |
TCMC1811 | C8H7NO | Oxindole | 133.05 | -0.0468 | 2.12 | 2.149 | 2 | 1 | 32.59 | 1 | 2 | 10 | 0 |
TCMC2158 | C12H17N4OS | Thiamine | 265.11 | -2.3748 | 2.12 | 0.641 | 4 | 3 | 100.59 | 7 | 2 | 18 | 0 |
TCMC2188 | C17H14O7 | Tricin | 330.07 | -1.9881 | 2.56 | 0.679 | 1 | 3 | 105.45 | 8 | 3 | 24 | 0 |
TCMC2190 | C7H7NO2 | Trigonelline | 137.05 | -2.2592 | 1.9 | 0.283 | 2 | 0 | 44.01 | 3 | 1 | 10 | 0 |
TCMC2196 | C15H8N2O2 | Tryptanthrin | 248.06 | -0.8639 | 2.67 | 3.473 | 4 | 0 | 49.74 | 0 | 4 | 19 | 0 |
TCMC2197 | C11H12N2O2 | Tryptophan | 204.09 | -1.5048 | 2.23 | -0.96 | 4 | 3 | 79.11 | 5 | 2 | 15 | 0 |
TCMC2233 | C21H20O10 | Vitexin | 432.11 | -4.1202 | 2.67 | -0.508 | 6 | 7 | 177.14 | 10 | 4 | 31 | 1 |