Collective Molecular Activities of the Plant: Lepechinia Caulescens
Country/Region:
MexicoTraditional Medicine System:
Guatemala; Mexico
See the Plant Occurrence Worldwide with Latitude and Longitude Available
Overview of Ingredients
29 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.
28 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)
15 Ingredients with experimental-derived Activity
Unique ingredients have activity data available.Ingredient Structrual Cards
Ingredient ID: NPC78540
Ingredient ID: NPC59436
Ingredient ID: NPC52
Ingredient ID: NPC44102
Ingredient ID: NPC32441
Ingredient ID: NPC312391
Ingredient ID: NPC307751
Ingredient ID: NPC278158
Ingredient ID: NPC267732
Ingredient ID: NPC259704
Ingredient ID: NPC241938
Ingredient ID: NPC237591
Ingredient ID: NPC230301
Ingredient ID: NPC220596
Ingredient ID: NPC20610
Ingredient ID: NPC203719
Ingredient ID: NPC194586
Ingredient ID: NPC194208
Ingredient ID: NPC191987
Ingredient ID: NPC190453
Ingredient ID: NPC166894
Ingredient ID: NPC152825
Ingredient ID: NPC143459
Ingredient ID: NPC13768
Ingredient ID: NPC129740
Ingredient ID: NPC129353
Ingredient ID: NPC128248
Ingredient ID: NPC120145
Ingredient ID: NPC118626
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 | CYP1B1 | Cytochrome P450 1B1 | Q16678 | CHEMBL4878 |
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1A1 | Cytochrome P450 1A1 | P04798 | CHEMBL2231 |
| Cytochrome P450 | Cytochrome P450 family 19 | CYP19A1 | Cytochrome P450 19A1 | P11511 | CHEMBL1978 |
| Cytochrome P450 | Cytochrome P450 family 2 | CYP2C19 | Cytochrome P450 2C19 | P33261 | CHEMBL3622 |
| Therapeutic Target | Enzyme | KARS1 | Lysyl-tRNA synthetase | Q15046 | CHEMBL5575 |
| Therapeutic Target | Lyase | CA12 | Carbonic anhydrase XII | O43570 | CHEMBL3242 |
| Therapeutic Target | Lyase | CA4 | Carbonic anhydrase IV | P22748 | CHEMBL3729 |
| Therapeutic Target | Lyase | CA7 | Carbonic anhydrase VII | P43166 | CHEMBL2326 |
| Therapeutic Target | Oxidoreductase | CBR1 | Carbonyl reductase [NADPH] 1 | P16152 | CHEMBL5586 |
❱❱❱ 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
|
Adenocarcinoma of bronchus or lungDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C25.0 |
CA12,F2,CA7,XDH,CBR1
|
Adenocarcinoma of pancreasDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C10.0 |
F2,DPP4,CYP2C19,CYP1B1,CA7,XDH,CBR1
|
Adenocarcinoma of stomachDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2B72.0 |
F2,CYP19A1
|
Angina pectorisDisease Category: 11.Diseases of the circulatory systemDisease ICD-11 Code: BA40 |
F2
|
AsthmaDisease Category: 12.Diseases of the respiratory systemDisease ICD-11 Code: CA23 |
CA4,F2,CBR1
|
Atrial fibrillationDisease Category: 11.Diseases of the circulatory systemDisease ICD-11 Code: BC81.3 |
CA7
|
Autism spectrum disorderDisease Category: 06.Mental, behavioural or neurodevelopmental disordersDisease ICD-11 Code: 6A02 |
DPP4
|
Bacterial infectionDisease Category: 01.Certain infectious or parasitic diseasesDisease ICD-11 Code: 1A00-1C4Z |
CA4,CA12
|
Bleeding disorderDisease Category: 16.Diseases of the genitourinary systemDisease ICD-11 Code: GA20-GA21 |
F2
|
❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations
>> Targets derived from weak experimental activities
