Collective Molecular Activities of the Plant: Marrubium Velutinum
Plant ID: NPO6536
Plant Latin Name: Marrubium Velutinum
Taxonomy Genus: Marrubium
Taxonomy Family: Lamiaceae
Plant External Links:
NCBI TaxonomyDB:
n.a.
Plant-of-the-World-Online:
n.a.
Country/Region:
ChinaTraditional Medicine System:
TCMChina
See the Plant Occurrence Worldwide with Latitude and Longitude Available
Overview of Ingredients
55 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.
13 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)
42 Ingredients with experimental-derived Activity
Unique ingredients have activity data available.Ingredient Structrual Cards
Ingredient ID: NPC91887
Ingredient ID: NPC86397
Ingredient ID: NPC81010
Ingredient ID: NPC70744
Ingredient ID: NPC6883
Ingredient ID: NPC64195
Ingredient ID: NPC61576
Ingredient ID: NPC61567
Ingredient ID: NPC57030
Ingredient ID: NPC52846
Ingredient ID: NPC50898
Ingredient ID: NPC473427
Ingredient ID: NPC473285
Ingredient ID: NPC473278
Ingredient ID: NPC471063
Ingredient ID: NPC471062
Ingredient ID: NPC471030
Ingredient ID: NPC470950
Ingredient ID: NPC470949
Ingredient ID: NPC470934
Ingredient ID: NPC470933
Ingredient ID: NPC470927
Ingredient ID: NPC42384
Ingredient ID: NPC34927
Ingredient ID: NPC333075
Ingredient ID: NPC302857
Ingredient ID: NPC294815
Ingredient ID: NPC287019
Ingredient ID: NPC268271
Ingredient ID: NPC268199
Ingredient ID: NPC264632
Ingredient ID: NPC259008
Ingredient ID: NPC257970
Ingredient ID: NPC225434
Ingredient ID: NPC22519
Ingredient ID: NPC217520
Ingredient ID: NPC204931
Ingredient ID: NPC197316
Ingredient ID: NPC19240
Ingredient ID: NPC185307
Ingredient ID: NPC183950
Ingredient ID: NPC181465
Ingredient ID: NPC177501
Ingredient ID: NPC176740
Ingredient ID: NPC175214
Ingredient ID: NPC165191
Ingredient ID: NPC164706
Ingredient ID: NPC162174
Ingredient ID: NPC153755
Ingredient ID: NPC14958
Ingredient ID: NPC132921
Ingredient ID: NPC131342
Ingredient ID: NPC115589
Ingredient ID: NPC105881
Ingredient ID: NPC100998
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 1 | CYP1A2 | Cytochrome P450 1A2 | P05177 | CHEMBL3356 |
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1A1 | Cytochrome P450 1A1 | P04798 | CHEMBL2231 |
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1B1 | Cytochrome P450 1B1 | Q16678 | CHEMBL4878 |
| Cytochrome P450 | Cytochrome P450 family 3 | CYP3A4 | Cytochrome P450 3A4 | P08684 | CHEMBL340 |
| Therapeutic Target | Hydrolase | ACHE | Acetylcholinesterase | P22303 | CHEMBL220 |
| Therapeutic Target | Lyase | CA2 | Carbonic anhydrase II | P00918 | CHEMBL205 |
| Therapeutic Target | Lyase | CA12 | Carbonic anhydrase XII | O43570 | CHEMBL3242 |
| Therapeutic Target | Lyase | CA7 | Carbonic anhydrase VII | P43166 | CHEMBL2326 |
| Therapeutic Target | Nuclear hormone receptor subfamily 3 | ESR2 | Estrogen receptor beta | Q92731 | CHEMBL242 |
| Therapeutic Target | Oxidoreductase | HSD17B1 | Estradiol 17-beta-dehydrogenase 1 | P14061 | CHEMBL3181 |
Clinical trials associated with plant from natural product (NP) & plant level:
| Clinical trials type | Number of clinical trials | |
|---|---|---|
 NP level | 8 | |
| NCT ID | Title | Condition | Form in clinical use | Associated by plant or compound |
|---|---|---|---|---|
| NCT01705652 | Study to Assess the Activity of Nexrutine® in Prostate Cancer Patients | prostate cancer | Rutin (NPC176740) | NP level |
| 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 |
| NCT02662283 | Validity and Security of Reh-acteoside Therapy for Patients of IgA Nephropathy | IGA glomerulonephritis | Acetoside (NPC197316) | 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 |
|---|---|
Acute diabete complicationDisease Category: 05.Endocrine, nutritional or metabolic diseasesDisease ICD-11 Code: 5A2Y |
DPP4,AKR1B1
|
Adenocarcinoma of bronchus or lungDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C25.0 |
XDH,ACHE,CA12,CA7,TTR,THPO
|
Adenocarcinoma of pancreasDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C10.0 |
DPP4,XDH,ACHE,CYP1B1,SNCA,CA2,CA7,TTR
|
Adenocarcinoma of prostateDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C82.0 |
TTR
|
Adenocarcinoma of stomachDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2B72.0 |
CYP19A1
|
Alzheimer diseaseDisease Category: 08.Diseases of the nervous systemDisease ICD-11 Code: 8A20 |
ACHE,SNCA,ESR2
|
AmyloidosisDisease Category: 05.Endocrine, nutritional or metabolic diseasesDisease ICD-11 Code: 5D00 |
TTR
|
AnxietyDisease Category: 21.Symptoms, signs or clinical findings, not elsewhere classifiedDisease ICD-11 Code: MB24.3 |
CYP3A4
|
Atopic eczemaDisease Category: 14.Diseases of the skinDisease ICD-11 Code: EA80 |
CYP3A4
|
Atrial fibrillationDisease Category: 11.Diseases of the circulatory systemDisease ICD-11 Code: BC81.3 |
CA7
|
❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations
>> Targets derived from weak experimental activities
