Component ID |
TCMH2449 |
Latin Name |
Atropa belladonna |
English Name |
Soda-apple nightshade |
Chinese Pinyin Name |
Ye Dian Qie |
中文名 |
野颠茄 |
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 |
AY028147 |
Barcode Source |
GenBank |
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 |
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 |
TCMT136 | CA12 | Carbonic anhydrase XII | Lyase | O43570 |
TCMT137 | CA9 | Carbonic anhydrase IX | Lyase | Q16790 |
TCMT138 | CA7 | Carbonic anhydrase VII | Lyase | P43166 |
TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
TCMT193 | RELA | Nuclear factor NF-kappa-B p65 subunit | Transcription factor | Q04206 |
TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
TCMT223 | AKR1B1 | Aldose reductase | Oxidoreductase | P15121 |
TCMT225 | CA13 | Carbonic anhydrase XIII | Lyase | Q8N1Q1 |
TCMT290 | CHRM5 | Muscarinic acetylcholine receptor M5 | GPCR | P08912 |
TCMT291 | CHRM3 | Muscarinic acetylcholine receptor M3 | GPCR | P20309 |
TCMT292 | CHRM1 | Muscarinic acetylcholine receptor M1 | GPCR | P11229 |
TCMT293 | CHRM2 | Muscarinic acetylcholine receptor M2 | GPCR | P08172 |
TCMT30 | PTGS2 | Cyclooxygenase-2 | Oxidoreductase | P35354 |
TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
TCMT45 | APP | Beta amyloid A4 protein | Unclassified | P05067 |
TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
Target ID | Target Name |
---|---|
TCMT1393 | Vibrio sp. |
TCMT1455 | Mycobacterium tuberculosis H37Rv |
Ingredient ID: TCMC50
Formula: C8H15NO
Ingredient ID: TCMC2550
Formula: C15H24
Ingredient ID: TCMC2204
Formula: C9H6O3
Ingredient ID: TCMC2051
Formula: C10H8O4
Ingredient ID: TCMC200
Formula: C17H23NO3
Ingredient ID: TCMC1999
Formula: C21H24N2O3
Ingredient ID: TCMC1660
Formula: C21H24N2O3
Ingredient ID: TCMC1107
Formula: C17H23NO3
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TCMC50 | C8H15NO | (1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Ol | 141.12 | -1.648 | 2.12 | 0.477 | 2 | 1 | 23.47 | 2 | 2 | 10 | 0 |
TCMC200 | C17H23NO3 | [(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] (2R)-3-Hydroxy-2-Phenylpropanoate | 289.17 | -1.8722 | 2.89 | 3.538 | 4 | 1 | 49.77 | 7 | 3 | 21 | 0 |
TCMC1107 | C17H23NO3 | Endo-Atropine | 289.17 | -1.8722 | 2.89 | 3.538 | 4 | 1 | 49.77 | 7 | 3 | 21 | 0 |
TCMC1660 | C21H24N2O3 | 352.18 | -0.6544 | 3.22 | 3.069 | 5 | 1 | 54.56 | 4 | 5 | 26 | 0 | |
TCMC1999 | C21H24N2O3 | Rauwolfia Serpentina | 352.18 | -0.6544 | 3.22 | 3.069 | 5 | 1 | 54.56 | 4 | 5 | 26 | 0 |
TCMC2051 | C10H8O4 | Scopoletin | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |
TCMC2204 | C9H6O3 | Umbelliferone | 162.03 | -0.1903 | 2.12 | 1.532 | 1 | 1 | 46.53 | 1 | 2 | 12 | 0 |
TCMC2550 | C15H24 | (+)-Germacrene D | 204.19 | 2.7967 | 3.11 | 6.294 | 0 | 0 | 0 | 4 | 1 | 15 | 1 |