Description of the Component
Component ID |
TCMH1444 |
Latin Name |
Datura metel |
English Name |
Hindu datura leaf |
Chinese Pinyin Name |
Man Tuo Luo Ye |
中文名 |
曼陀罗叶 |
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 |
ITSAM3639-14 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF5333 | Qing Jin Ning Fei Pills | 清金宁肺丸 |
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 |
| TCMT126 | TERT | Telomerase reverse transcriptase | Transferase | O14746 |
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT156 | CYP19A1 | Cytochrome P450 19A1 | Oxidoreductase | P11511 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT176 | SOAT1 | Acyl coenzyme A:cholesterol acyltransferase 1 | Transferase | P35610 |
| TCMT189 | DUSP3 | Dual specificity protein phosphatase 3 | Hydrolase | P51452 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
| 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 |
| 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 |
| TCMT307 | KCNH2 | HERG | Ion channel | Q12809 |
| TCMT31 | CYP2C19 | Cytochrome P450 2C19 | Oxidoreductase | P33261 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT42 | KMT2A | Histone-lysine N-methyltransferase MLL | Transferase | Q03164 |
| TCMT46 | F3 | Coagulation factor III | Unclassified | P13726 |
| TCMT6 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | Transcription factor | P19838 |
| TCMT63 | PPARA | Peroxisome proliferator-activated receptor alpha | Nuclear receptor | Q07869 |
| TCMT64 | PPARD | Peroxisome proliferator-activated receptor delta | Nuclear receptor | Q03181 |
| TCMT67 | PPARG | Peroxisome proliferator-activated receptor gamma | Nuclear receptor | P37231 |
| TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
| TCMT80 | MAPK1 | MAP kinase ERK2 | Kinase | P28482 |
| TCMT82 | ESR1 | Estrogen receptor alpha | Nuclear receptor | P03372 |
| TCMT87 | CYP2C9 | Cytochrome P450 2C9 | Oxidoreductase | P11712 |
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1455 | Mycobacterium tuberculosis H37Rv |
Ingredient Structrues
Ingredient ID: TCMC50
Formula: C8H15NO
Ingredient ID: TCMC2006
Formula: C20H30O
Ingredient ID: TCMC200
Formula: C17H23NO3
Ingredient ID: TCMC1788
Formula: C18H34O2
Ingredient ID: TCMC1626
Formula: C8H13NO2
Ingredient ID: TCMC1495
Formula: C18H32O2
Ingredient ID: TCMC1107
Formula: C17H23NO3
Properties
| 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 |
| TCMC1495 | C18H32O2 | Linoleic Acid | 280.24 | -0.9485 | 3.22 | 7.865 | 2 | 1 | 37.3 | 16 | 0 | 20 | 2 |
| TCMC1626 | C8H13NO2 | 155.09 | -1.3269 | 2.01 | -0.565 | 3 | 1 | 32.7 | 2 | 2 | 11 | 0 | |
| TCMC1788 | C18H34O2 | Oleic Acid | 282.26 | -2.3427 | 3.22 | 8.192 | 2 | 1 | 37.3 | 17 | 0 | 20 | 2 |
| TCMC2006 | C20H30O | Retinol | 286.23 | 3.7849 | 3.55 | 6.158 | 1 | 1 | 20.23 | 11 | 1 | 21 | 1 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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