Collective Molecular Activities of the Plant: Scopolia Japonica
Country/Region:
South Korea; China; RomaniaTraditional Medicine System:
TCMMedicinal Functions:
Anodyne; Antispasmodic; Antitussive; Diuretic; Sedative
Japan; Romania; China; South Korea; South Africa
See the Plant Occurrence Worldwide with Latitude and Longitude Available
Overview of Ingredients
72 All known Ingredients in Total
Unique ingredients have been isolated from this plant.Plant-Ingredients Associations were manually curated from publications or collected from other databases.
69 Ingredients with Acceptable Bioavailablity
Unique ingredients exhibit acceptable human oral bioavailablity, according to the criteria of SwissADME [PMID: 28256516] and HobPre [PMID: 34991690]. The criteria details:SwissADME: six descriptors are used by SwissADME to evaluate the oral bioavailability of a natural product:
☑ LIPO(Lipophility): -0.7 < XLOGP3 < +5.0
☑ SIZE: 150g/mol < MW < 500g/mol
☑ POLAR(Polarity): 20Ų < TPSA < 130Ų
☑ INSOLU(Insolubility): -6 < Log S (ESOL) < 0
☑ INSATU(Insaturation): 0.25 < Fraction Csp3 < 1
☑ FLEX(Flexibility): 0 < Num. rotatable bonds < 9
If 6 descriptors of a natural plant satisfy the above rules, it will be labeled high HOB.
HobPre: A natural plant ingredient with HobPre score >0.5 is labeled high human oral availability (HOB)
30 Ingredients with experimental-derived Activity
Unique ingredients have activity data available.Ingredient Structrual Cards
Ingredient ID: NPC98929
Ingredient ID: NPC98121
Ingredient ID: NPC97820
Ingredient ID: NPC96294
Ingredient ID: NPC9556
Ingredient ID: NPC8965
Ingredient ID: NPC84281
Ingredient ID: NPC76336
Ingredient ID: NPC74559
Ingredient ID: NPC71498
Ingredient ID: NPC69389
Ingredient ID: NPC46780
Ingredient ID: NPC40037
Ingredient ID: NPC36661
Ingredient ID: NPC33541
Ingredient ID: NPC327589
Ingredient ID: NPC306626
Ingredient ID: NPC302857
Ingredient ID: NPC298093
Ingredient ID: NPC291027
Ingredient ID: NPC28959
Ingredient ID: NPC287708
Ingredient ID: NPC284820
Ingredient ID: NPC283790
Ingredient ID: NPC274810
Ingredient ID: NPC270030
Ingredient ID: NPC268183
Ingredient ID: NPC267466
Ingredient ID: NPC267413
Ingredient ID: NPC267212
Ingredient ID: NPC266576
Ingredient ID: NPC262047
Ingredient ID: NPC25281
Ingredient ID: NPC251298
Ingredient ID: NPC249797
Ingredient ID: NPC249626
Ingredient ID: NPC248299
Ingredient ID: NPC248142
Ingredient ID: NPC244364
Ingredient ID: NPC237663
Ingredient ID: NPC234378
Ingredient ID: NPC234255
Ingredient ID: NPC233910
Ingredient ID: NPC222837
Ingredient ID: NPC222558
Ingredient ID: NPC22117
Ingredient ID: NPC211401
Ingredient ID: NPC209773
Ingredient ID: NPC207703
Ingredient ID: NPC203064
Ingredient ID: NPC200302
Ingredient ID: NPC192686
Ingredient ID: NPC19097
Ingredient ID: NPC190558
Ingredient ID: NPC180340
Ingredient ID: NPC177480
Ingredient ID: NPC172518
Ingredient ID: NPC16953
Ingredient ID: NPC169485
Ingredient ID: NPC167976
Ingredient ID: NPC165549
Ingredient ID: NPC156590
Ingredient ID: NPC156194
Ingredient ID: NPC152477
Ingredient ID: NPC151003
Ingredient ID: NPC144312
Ingredient ID: NPC134160
Ingredient ID: NPC120593
Ingredient ID: NPC119209
Ingredient ID: NPC117351
Ingredient ID: NPC116631
Ingredient ID: NPC108450
Classification of Human Proteins Collectively Targeted by the Plant
Detailed Information of Target Proteins
| Target Type | Protein Class | Gene ID | Protein Name | Uniprot ID | Target ChEMBL ID |
|---|---|---|---|---|---|
| Cytochrome P450 | Cytochrome P450 family 2 | CYP2D6 | Cytochrome P450 2D6 | P10635 | CHEMBL289 |
| Therapeutic Target | Lyase | CA12 | Carbonic anhydrase XII | O43570 | CHEMBL3242 |
| Therapeutic Target | Lyase | CA9 | Carbonic anhydrase IX | Q16790 | CHEMBL3594 |
| Therapeutic Target | Methyl-lysine/arginine binding protein | SMN1 | Survival motor neuron protein | Q16637 | CHEMBL1293232 |
| Therapeutic Target | Oxidoreductase | ND4 | NADH-ubiquinone oxidoreductase chain 4 | P03905 | CHEMBL4499 |
| Therapeutic Target | Phosphodiesterase | TDP1 | Tyrosyl-DNA phosphodiesterase 1 | Q9NUW8 | CHEMBL1075138 |
| Therapeutic Target | Protein Kinase | MTOR | Serine/threonine-protein kinase mTOR | P42345 | CHEMBL2842 |
| Therapeutic Target | Small molecule receptor (family A GPCR) | CHRM2 | Muscarinic acetylcholine receptor M2 | P08172 | CHEMBL211 |
| Therapeutic Target | Small molecule receptor (family A GPCR) | CHRM5 | Muscarinic acetylcholine receptor M5 | P08912 | CHEMBL2035 |
| Therapeutic Target | Small molecule receptor (family A GPCR) | CHRM1 | Muscarinic acetylcholine receptor M1 | P11229 | CHEMBL216 |
Clinical trials associated with plant from natural product (NP) & plant level:
| Clinical trials type | Number of clinical trials | |
|---|---|---|
 NP level | 6 | |
| NCT ID | Title | Condition | Form in clinical use | Associated by plant or compound |
|---|---|---|---|---|
| NCT02136342 | Phase 1 Trial of Chlorogenic Acid in Patients With Advanced Cancer | cancer | Chlorogenic Acid (NPC302857) | NP level |
| NCT02245204 | Phase I Studies of Chlorogenic Acid for Injection for Tolerance and Pharmacokinetic of Advanced Cancers | cancer | Chlorogenic Acid (NPC302857) | NP level |
| NCT02621060 | Effect of Chlorogenic Acid on Patients With Impaired Glucose Tolerance | abnormal glucose tolerance | Chlorogenic Acid (NPC302857) | NP level |
| NCT02728349 | Tolerance and Pharmacokinetic Study of Chlorogenic Acid to Advanced Glioblastoma | glioblastoma multiforme | Chlorogenic Acid (NPC302857) | NP level |
| NCT03751592 | Phase Ib/IIa Studies of Chlorogenic Acid for Injection for Safety and Efficacy of Advanced Lung Cancer | lung cancer | Chlorogenic Acid (NPC302857) | NP level |
| NCT03758014 | Studies of Chlorogenic Acid for Injection for Safety and Efficacy of Grade IV GBM Patients | glioblastoma multiforme | Chlorogenic Acid (NPC302857) | NP level |
❱❱❱ Associated Human Diseases and Detailed Association Evidence
How do we define the Plant-Targeted Human Disease Association?
Associated human diseases of an individual plant are summurized based on FOUR types of association evidence, these include:
❶ Association by Therapeutic Target: Bioactive protein targets of the plant were defined in "Molecular Targets" section, target-disease associations collected from TTD database were subsequently used to build the associations between the plant and its targeted human diseases.
❷ Association by Disease Gene Reversion: Plant and a specific disease will be associated when >= 1 plant target gene overlaped with disease's DEGs.
❸ Association by Clinical Trials of Plant: Plant and a specific disease will be associated when >= 1 clinical trial (the plant is the intervetion) can be matched in ClinicalTrials.gov database.
❹ Association by Clinical Trials of Plant Ingredients: Plant and a specific disease will be associated when >= 1 clinical trial (the plant ingredient is the intervetion) can be matched in ClinicalTrials.gov database.
Associated Disease of the Plant | Association Type & Detailed Evidence |
|---|---|
Abdominal pelvic painDisease Category: 21.Symptoms, signs or clinical findings, not elsewhere classifiedDisease ICD-11 Code: MD81 |
CHRM1
|
Abnormal micturitionDisease Category: 21.Symptoms, signs or clinical findings, not elsewhere classifiedDisease ICD-11 Code: MF50 |
CHRM2,CHRM5,CHRM1
|
AbortionDisease Category: 18.Pregnancy, childbirth or the puerperiumDisease ICD-11 Code: JA00 |
DRD1
|
Acute diabete complicationDisease Category: 05.Endocrine, nutritional or metabolic diseasesDisease ICD-11 Code: 5A2Y |
AKR1B1
|
Adenocarcinoma of bronchus or lungDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C25.0 |
CYP2D6,CA12,CA9
|
Adenocarcinoma of pancreasDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C10.0 |
CA9,PMP22,DRD1,LMNA,CYP2C19
|
Adenocarcinoma of stomachDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2B72.0 |
DRD1
|
Allergic/hypersensitivity disorderDisease Category: 04.Diseases of the immune systemDisease ICD-11 Code: 4A80-4A8Z |
DRD1
|
Alzheimer diseaseDisease Category: 08.Diseases of the nervous systemDisease ICD-11 Code: 8A20 |
CHRM1,HTR6
|
Anterior uveitisDisease Category: 09.Diseases of the visual systemDisease ICD-11 Code: 9A96 |
CHRM5
|
❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations
>> Targets derived from weak experimental activities
