CMAUP Plant Collective Molecular Activities

Collective Molecular Activities of the Plant: Agave Xylonacantha

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PLANiTS DNA barcode

Click for details-----ITS2

Taxonomic Information

Plant ID: NPO2495
Plant Latin Name: Agave Xylonacantha
Taxonomy Genus: Agave
Taxonomy Family: Asparagaceae

Plant External Links:

NCBI TaxonomyDB: n.a.
Plant-of-the-World-Online: n.a.

Geographical Distribution

See the Plant Occurrence Worldwide with Latitude and Longitude Available

Compounds Summary

Overview of Ingredients

32 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): 20Å² < TPSA < 130Å²
  ☑ 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)

18 Ingredients with experimental-derived Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC77249

Ingredient ID: NPC65786

Ingredient ID: NPC43094

Ingredient ID: NPC311830

Ingredient ID: NPC299856

Ingredient ID: NPC29353

Ingredient ID: NPC286667

Ingredient ID: NPC278680

Ingredient ID: NPC270675

Ingredient ID: NPC265442

Ingredient ID: NPC252918

Ingredient ID: NPC247586

Ingredient ID: NPC245853

Ingredient ID: NPC243083

Ingredient ID: NPC231772

Ingredient ID: NPC230789

Ingredient ID: NPC214585

Ingredient ID: NPC214168

Ingredient ID: NPC210003

Ingredient ID: NPC195685

Ingredient ID: NPC180407

Ingredient ID: NPC157699

Ingredient ID: NPC156869

Ingredient ID: NPC156851

Ingredient ID: NPC146713

Ingredient ID: NPC142319

Ingredient ID: NPC140154

Ingredient ID: NPC137062

Ingredient ID: NPC130683

Ingredient ID: NPC123965

Ingredient ID: NPC115289

Ingredient ID: NPC113101

Classification of Human Proteins Collectively Targeted by the Plant

Target Activity Range: ≤ 1μM Target Type: Individual Protein of Homo sapiens

*The classification criteria of Drug Transporter (DTP), CYP450 are referred to DrugMap. Other molecular targets in CMAUP are classified as therapeutic targets.

Detailed Information of Target Proteins

Target Type	Protein Class	Gene ID	Protein Name	Uniprot ID	Target ChEMBL ID
Cytochrome P450	Cytochrome P450 family 1	CYP1A1	Cytochrome P450 1A1	P04798	CHEMBL2231
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 19	CYP19A1	Cytochrome P450 19A1	P11511	CHEMBL1978
Therapeutic Target	Oxidoreductase	MAOB	Monoamine oxidase B	P27338	CHEMBL2039
Therapeutic Target	Oxidoreductase	MAOA	Monoamine oxidase A	P21397	CHEMBL1951
Therapeutic Target	Protein Kinase	CDK8	Cell division protein kinase 8	P49336	CHEMBL5719
Therapeutic Target	Transcription factor	HIF1A	Hypoxia-inducible factor 1 alpha	Q16665	CHEMBL4261

Clinical Trials Summary

Overview

Clinical trials associated with plant from natural product (NP) & plant level:

Clinical trials type	Number of clinical trials
NP level	20

Clinical trial details

NCT ID	Title	Condition	Form in clinical use	Associated by plant or compound
NCT00218946	Nasogastric Tube in Premature Babies - Pain and Treatment	premature birth	Sucrose (NPC130683)	NP level
NCT00949104	Role of Oral Sucrose in Reducing the Pain to Orogastric Tube Insertion in Preterm Neonates	pain	Sucrose (NPC130683)	NP level
NCT03718507	Study on the Effects of Different Premedication for LISA on Stress and Cerebral Tissue Oxygenation in Preterm Infants	acute respiratory distress syndrome	Sucrose (NPC130683)	NP level
NCT01201954	Pain Relief of Newborn Preterm Infants During Endotracheal Suctioning	pain	Sucrose (NPC130683)	NP level
NCT02990364	Combination Analgesia for Neonatal Circumcision	pain	Sucrose (NPC130683)	NP level
NCT04855266	Iron Sucrose in Patients With Iron Deficiency and POTS	orthostatic hypotension	Sucrose (NPC130683)	NP level
NCT00787059	AC6 Gene Transfer for CHF	congestive heart failure	Sucrose (NPC130683)	NP level
NCT01561547	Trial of Repeated Analgesia With Kangaroo Care	pain	Sucrose (NPC130683)	NP level
NCT01503060	Effectiveness of Parent-Led Interventions in Reducing Infant Hypersensitivity to Pain	pain	Sucrose (NPC130683)	NP level
NCT00482560	Analgesic Effect of Breast Feeding vs Sucrose in Neonatal Screening	pain	Sucrose (NPC130683)	NP level
NCT00717652	Efficiency And Safety Of Association Arbutin, Triamcinolone And Tretinoin In Treatment Of Melasma	freckles	Arbutin (NPC142319)	NP level
NCT01238471	Oral Propranolol Versus Placebo for Early Stages of Retinopathy of Prematurity: A Randomized and Prospective Study	retinopathy of prematurity	Sucrose (NPC130683)	NP level
NCT03272594	The Influence of Breastfeeding on Cortical Activity During Procedures	pain	Sucrose (NPC130683)	NP level
NCT03082001	Sucrose to Reduce Pain During Initiation of Venipuncture in Extremely Low Birth Weight Babies	pain	Sucrose (NPC130683)	NP level
NCT02086864	A Placebo Controlled Study of Homeopathic Treatment of Children and Youth With ADHD	attention deficit hyperactivity disorder	Sucrose (NPC130683)	NP level
NCT02174705	Rotavirus vs. Sucrose for Vaccine Injection Pain	pain	Sucrose (NPC130683)	NP level
NCT02059785	Phase ⅡStudy of Pinocembrin Injection to Treat Ischemic Stroke	Ischemic stroke	Pinocembrin (NPC243083)	NP level
NCT03745963	The Influence of Skin-to-skin Contact on Cortical Activity During Painful Procedures on Preterm Infants in the NICU	pain	Sucrose (NPC130683)	NP level
NCT00519207	Evaluation of Topical Liposomal Lidocaine and Oral Sucrose for Treatment of Pain in Newborns Undergoing Venipuncture	pain	Sucrose (NPC130683)	NP level
NCT01190995	Role of Repeated Painful Procedures in Preterm Neonates on Short Term Neurobehavioural Outcome	pain	Sucrose (NPC130683)	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
Adenocarcinoma of pancreas Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C10.0	HIF1A,MAOB,CYP2C19,CYP1B1
General pain disorder Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8E43	MAOB,MAOA
Alzheimer disease Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8A20	MAOB,MAOA
Skin tag/polyp Disease Category: 14.Diseases of the skin Disease ICD-11 Code: EK71	MAOA,MAOB
Parkinsonism Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8A00	MAOA,MAOB
Depression Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6A70-6A7Z	MAOB,MAOA
Prostate cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C82	MAOA,MAOB
Acquired hypomelanotic disorder Disease Category: 14.Diseases of the skin Disease ICD-11 Code: ED63	MAOA,MAOB
Pulmonary hypertension Disease Category: 11.Diseases of the circulatory system Disease ICD-11 Code: BB01	HIF1A,MAOB
Diffuse large B-cell lymphomas Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A81	MAOB,CDK8
Hepatocellular carcinoma of liver Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C12.02	CYP19A1,CYP19A1
Cytomegaloviral disease Disease Category: 01.Certain infectious or parasitic diseases Disease ICD-11 Code: 1D82	CYP1A1,CYP2C19
Chikungunya virus disease Disease Category: 01.Certain infectious or parasitic diseases Disease ICD-11 Code: 1D40	HIF1A,CYP19A1
Glioblastoma of brain Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A00.00	CYP1B1,CYP19A1
Renal cell carcinoma, chromophobe type Disease Category: X.Extension Codes Disease ICD-11 Code: XH6153	CYP1A1,CYP1A2
Pain, unspecified Disease Category: 21.Symptoms, signs or clinical findings, not elsewhere classified Disease ICD-11 Code: MG3Z	NCT00519207,NCT01503060,NCT03272594,NCT01561547,NCT01201954,NCT03745963,NCT03082001,NCT02990364,NCT00949104,NCT00482560,NCT01190995,NCT02174705
Nausea/vomiting Disease Category: 21.Symptoms, signs or clinical findings, not elsewhere classified Disease ICD-11 Code: MD90	MAOB
Oesophagitis Disease Category: 13.Diseases of the digestive system Disease ICD-11 Code: DA24	CYP19A1
Mature T-cell lymphoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A90	HIF1A
Mood disorder Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6A60-6E23	MAOA
Dementia Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6D80-6D8Z	MAOB
Breast cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C60-2C6Y	CYP19A1
Brain cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A00	HIF1A
Migraine Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8A80	MAOB
Endometriosis Disease Category: 16.Diseases of the genitourinary system Disease ICD-11 Code: GA10	CYP19A1
Neuropathy Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8C0Z	CYP19A1
Solid tumour/cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A00-2F9Z	HIF1A
Malaria Disease Category: 01.Certain infectious or parasitic diseases Disease ICD-11 Code: 1F40-1F45	MAOB
Muscular dystrophy Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8C70	MAOB
Acute myeloid leukaemia Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A60	CDK8
Adrenomedullary hyperfunction Disease Category: 05.Endocrine, nutritional or metabolic diseases Disease ICD-11 Code: 5A75	HIF1A
Substance abuse Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6C40	MAOA
Primary psychotic disorder manifestation Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6A25	MAOB
Skin cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C30-2C37	MAOB
Myelodysplastic syndrome Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A37	CDK8
Cushing syndrome Disease Category: 05.Endocrine, nutritional or metabolic diseases Disease ICD-11 Code: 5A70	CYP19A1
Attention deficit hyperactivity disorder Disease Category: 06.Mental, behavioural or neurodevelopmental disorders Disease ICD-11 Code: 6A05	NCT02086864
Preterm newborn, unspecified Disease Category: 19.Certain conditions originating in the perinatal period Disease ICD-11 Code: KA21.4Z	NCT00218946
Congestive heart failure Disease Category: 11.Diseases of the circulatory system Disease ICD-11 Code: BD10	NCT00787059
Orthostatic hypotension Disease Category: 11.Diseases of the circulatory system Disease ICD-11 Code: BA21	NCT04855266
Freckles Disease Category: 14.Diseases of the skin Disease ICD-11 Code: ED61.0	NCT00717652
Retinopathy of prematurity Disease Category: 09.Diseases of the visual system Disease ICD-11 Code: 9B71.3	NCT01238471
Acute respiratory distress syndrome Disease Category: 12.Diseases of the respiratory system Disease ICD-11 Code: CB00	NCT03718507
Cerebral ischaemic stroke Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8B11	NCT02059785
Carcinosarcoma of uterus Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C76.43	CYP19A1
Coeliac disease Disease Category: 13.Diseases of the digestive system Disease ICD-11 Code: DA95	CYP1A1
Serous cystadenoma,borderline malignancy of ovary Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C73.4	CYP1A2
Dengue fever, unspecified Disease Category: 01.Certain infectious or parasitic diseases Disease ICD-11 Code: 1D2Z	MAOA
Malignant neoplasms of biliary tract, distal bile duct Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C15	HIF1A
Hepatoblastoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C12.01	CYP19A1
Adenocarcinoma of stomach Disease Category: 02.Neoplasms Disease ICD-11 Code: 2B72.0	CYP19A1
Myotonic dystrophy Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8C71.0	CYP1A1
Other specified malignant neoplasms of kidney, except renal pelvis Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C90.Y	CYP19A1
West Nile virus infection Disease Category: 01.Certain infectious or parasitic diseases Disease ICD-11 Code: 1D46	CYP19A1
Other specified malignant neoplasms ofcolon Disease Category: 02.Neoplasms Disease ICD-11 Code: 2B90.Y	CYP1A1
Urothelial carcinoma of bladder Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C94.2	CYP1A2
Chronic rhinosinusitis Disease Category: 12.Diseases of the respiratory system Disease ICD-11 Code: CA0A	CYP1A1
Systemic lupus erythematosus Disease Category: 04.Diseases of the immune system Disease ICD-11 Code: 4A40.0	CYP1A1
Malignant neoplasms of thyroid gland, unspecified Disease Category: 02.Neoplasms Disease ICD-11 Code: 2D10.Z	CYP1B1
Malignant neoplasms of corpus uteri, unspecified Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C76.Z	CYP1A1
Polycystic ovary syndrome Disease Category: 05.Endocrine, nutritional or metabolic diseases Disease ICD-11 Code: 5A80.1	CDK8
Malignant neoplasms of thymus Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C27	CYP1B1
Heart failure, unspecified Disease Category: 11.Diseases of the circulatory system Disease ICD-11 Code: BD1Z	CYP1B1
Germ cell tumour of testis Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C80.2	HIF1A
Carpal tunnel syndrome Disease Category: 08.Diseases of the nervous system Disease ICD-11 Code: 8C10.0	CYP1B1
Malignant neoplasms of adrenal gland Disease Category: 02.Neoplasms Disease ICD-11 Code: 2D11	CYP19A1

❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations

Plant-Targeted Human Disease Network

Data Section	Select to Download
1. General Info & Plant Usage & Geographical Distribution
2. Plant Ingredients
3. Collective Molecular Proteins
4. Collective Enriched Activities
5. Plant molecular targets overlapping with DEGs
6. Associated clinical trials
7. Associated Human Diseases

Collective Molecular Activities of the Plant: Agave Xylonacantha

Click for details-----ITS

Click for details-----ITS1

Click for details-----ITS2

Plant External Links:

See the Plant Occurrence Worldwide with Latitude and Longitude Available

Overview of Ingredients

32 All known Ingredients in Total

13 Ingredients with Acceptable Bioavailablity

18 Ingredients with experimental-derived Activity

Ingredient Structrual Cards

Classification of Human Proteins Collectively Targeted by the Plant

Detailed Information of Target Proteins

❱❱❱ Associated Human Diseases and Detailed Association Evidence

Associated Disease of the Plant

Association Type & Detailed Evidence

Adenocarcinoma of pancreas

General pain disorder

Alzheimer disease

Skin tag/polyp

Parkinsonism

Depression

Prostate cancer

Acquired hypomelanotic disorder

Pulmonary hypertension

Diffuse large B-cell lymphomas

Hepatocellular carcinoma of liver

Cytomegaloviral disease

Chikungunya virus disease

Glioblastoma of brain

Renal cell carcinoma, chromophobe type

Pain, unspecified

Nausea/vomiting

Oesophagitis

Mature T-cell lymphoma

Mood disorder

Dementia

Breast cancer

Brain cancer

Migraine

Endometriosis

Neuropathy

Solid tumour/cancer

Malaria

Muscular dystrophy

Acute myeloid leukaemia

Adrenomedullary hyperfunction

Substance abuse

Primary psychotic disorder manifestation

Skin cancer

Myelodysplastic syndrome

Cushing syndrome

Attention deficit hyperactivity disorder

Preterm newborn, unspecified

Congestive heart failure

Orthostatic hypotension

Freckles

Retinopathy of prematurity

Acute respiratory distress syndrome

Cerebral ischaemic stroke

Carcinosarcoma of uterus

Coeliac disease

Serous cystadenoma,borderline malignancy of ovary

Dengue fever, unspecified

Malignant neoplasms of biliary tract, distal bile duct

Hepatoblastoma

Adenocarcinoma of stomach

Myotonic dystrophy

Other specified malignant neoplasms of kidney, except renal pelvis

West Nile virus infection

Other specified malignant neoplasms ofcolon

Urothelial carcinoma of bladder

Chronic rhinosinusitis

Systemic lupus erythematosus

Malignant neoplasms of thyroid gland, unspecified

Malignant neoplasms of corpus uteri, unspecified

Polycystic ovary syndrome

Malignant neoplasms of thymus

Heart failure, unspecified

Germ cell tumour of testis