Component: Datura stramonium 曼陀罗


Description of the Component

Component ID
TCMH1442
Latin Name
Datura stramonium
English Name
Jimsonweed
Chinese Pinyin Name
Man Tuo Luo
中文名
曼陀罗
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
ITSAM3630-14
Barcode Source
BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID Prescription English Name Prescription Chinese Name
TCMFx3790 Fu Fang Man Tuo Luo Yao Decoction 复方曼陀罗药水

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
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
TCMT2 MAPT Microtubule-associated protein tau Unclassified P10636
TCMT207 BACE1 Beta-secretase 1 Protease P56817
TCMT213 SLC22A1 Solute carrier family 22 member 1 Transporter O15245
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
TCMT401 MET Hepatocyte growth factor receptor Kinase P08581
TCMT45 APP Beta amyloid A4 protein Unclassified P05067
TCMT551 CHRM4 Muscarinic acetylcholine receptor M4 GPCR P08173
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


Targeted Pathogenic Microbes by the Ingredient of Component

Target ID Target Name
TCMT1088 Carbonic anhydrase
TCMT1212 Verticillium dahliae
TCMT1247 Human herpesvirus 1
TCMT1455 Mycobacterium tuberculosis H37Rv
TCMT1463 Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC746
Formula: C17H23NO3

Ingredient ID: TCMC50
Formula: C8H15NO

Ingredient ID: TCMC2598
Formula: C10H8O5

Ingredient ID: TCMC2387
Formula: C10H9NO2

Ingredient ID: TCMC2204
Formula: C9H6O3

Ingredient ID: TCMC2201
Formula: C8H10O2

Ingredient ID: TCMC2051
Formula: C10H8O4

Ingredient ID: TCMC200
Formula: C17H23NO3

Ingredient ID: TCMC1626
Formula: C8H13NO2

Ingredient ID: TCMC1132
Formula: C15H16O9

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
TCMC746 C17H23NO3 Atropine 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
TCMC1132 C15H16O9 Esculin 340.08 -2.3975 2.12 -0.539 6 5 145.91 8 3 24 0
TCMC1626 C8H13NO2 155.09 -1.3269 2.01 -0.565 3 1 32.7 2 2 11 0
TCMC2051 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
TCMC2201 C8H10O2 Tyrosol 138.07 -0.6534 2.12 1.171 1 2 40.46 4 1 10 0
TCMC2204 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
TCMC2387 C10H9NO2 Indole-3-Acetic Acid 175.06 -0.6254 2.23 1.679 3 2 53.09 3 2 13 0
TCMC2598 C10H8O5 6,8-Dihydroxy-3-Hydroxymethylisocoumarin 208.04 -1.4394 2.01 0.264 3 3 86.99 4 2 15 0

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