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Every herb, ingredient, formula, gene target, and disease — connected through real research. Search, pick a subject, and navigate the graph in any direction.
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Herb
6,826
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⚗️
Ingredient
44,595
→
🧬
Gene Target
15,505
→
🏥
Disease
30,170
→
🧪
Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient
Caffeine
191
Clinical Trials
131
Meta-Analyses
21
PubMed References
Top Conditions Studied with Caffeine
📋 Sample Trials
NCT04685005
"WakeUp" for Vigilance Following Lunch
Completed
NCT00611416
The Role of Tea Catechins and Caffeine in Relation to Energy Metabolism
Completed
NCT00117520
The Effect of Caffeine in Elderly Citizens
Completed · Phase 4
📊 Sample Meta-Analyses
CRD42022363638
What is the evidence of the use of beta alanine, creatine, caffeine and coenzyme Q10 in the treatment of neurodegenerative diseases?
Clinical results, Biological (biochemical and immunological analyses) and behavi
CRD42015015714
Is caffeine intake a risk factor leading to infertility? An epidemiological systematic review of analytical studies
Infertility describe a woman who is unable to conceive as well as being unable
CRD42015020333
The effects of coffee and caffeine consumption on fecundity and fertility: a systematic review and dose-response mate-analysis
Fecundity and fertility outcomes. The outcomes will be studied among couples wit
📚 Sample References
PMID 31595831
Ilex paraguariensis extract provides increased resistance against oxidative stress and protection against Amyloid beta-induced toxicity compared to caffeine in Caenorhabditis elegans
Nutr Neurosci · 2021
PMID 32050085
Immunomodulatory benefits of mesenchymal stem cells treated with Caffeine in adjuvant-induced arthritis
Life Sci · 2020
PMID 32392893
Maternal Caffeine Intake Disrupts Eggshell Integrity and Retards Larval Development by Reducing Yolk Production in a Caenorhabditis elegans Model
Nutrients · 2020
⚗️ All Ingredient data fields for Caffeine
⚗️ Identity
Name
Caffeine
Aliases / Synonyms
58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Koffein; Mateina
🧪 Chemistry
Molecular Weight
194.1940
LogP
-1.0293
Drug-likeness
0.538
Oral Bioavailability
89.4580
H-Bond Acceptors
6
🔬 Structures
Canonical SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Isomeric SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChIKey
RYYVLZVUVIJVGH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
🔗 External References
HERB DB
PubChem CID
CAS Number
NPASS
NPC256849
HIT
C1205
SymMap
544
TCMID
2892
TCMSP
MOL003973
TCM-ID
6025
🔍 Raw view — every non-empty column on this row (34 fields)
name
Caffeine
common names
58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Koffein; Mateina
herb ingredient id
HBIN019307
canonical smiles
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
isomeric smiles
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
inchi
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
inchikey
RYYVLZVUVIJVGH-UHFFFAOYSA-N
mol wt
194.1940
num h acceptors
6
num h donors
0
mol logp
-1.0293
num rotatable bonds
0
drug likeness
0.538
ob score
89.4580
cas id
71701-02-5
symmap mol id
544
tcmid ingredient id
2892
tcmsp ingredient id
MOL003973
tcm id ingredient id
6025
pubchem cid
2519
npass id
NPC256849
hit id
C1205
🏥 Linked Health Topics
12 · studied for these conditions (text bridge)📋 Clinical Trials
12 · subject of clinical studyNCT04685005 "WakeUp" for Vigilance Following Lunch
→ Fatigue
NCT00611416 The Role of Tea Catechins and Caffeine in Relation to Energy Metabolism
→ Obesity
NCT00117520 The Effect of Caffeine in Elderly Citizens
→ Healthy Elderly Citizens
NCT00130026 Caffeine in the Prevention of Post-operative Nausea and Vomiting
→ Postoperative Nausea and Vomiting
NCT00182312 Caffeine for Apnea of Prematurity (CAP)
→ Apnea of Prematurity
NCT00184912 The Effect of Caffeine on Ischemic Preconditioning
→ Caffeine|Ischemic Preconditioning|Ischemia-Reperfu
NCT00205166 Does Caffeine Affect the Sensitivity of Adenosine Perfusion Scans?
→ Coronary Artery Disease
NCT00273754 The Effect of Caffeine on Postextubation Adverse Respiratory Events in Children
→ Sleep Apnea, Obstructive|Tonsillectomy|Adenoidecto
NCT00338195 Assessment and Treatment of Caffeine Dependence
→ Self-identified Problematic Caffeine Use|DSM-IV Su
NCT00388128 Caffeine and Intermittent Claudication
→ Intermittent Claudication
NCT00430170 Does Caffeine Reduce Dipyridamole-Induced Protection Against Ischemia-Reperfusio
→ Cardiovascular Disease|Ischemia-Reperfusion Injury
NCT00432887 Experimental Studies of the Effects of Caffeine on Glucose Regulation
→ Diabetes Mellitus, Type 2
📊 Meta-Analyses
12 · systematic reviewCRD42022363638 What is the evidence of the use of beta alanine, creatine, caffeine and coenzyme
→ Clinical results, Biological (biochemical and immu
CRD42015015714 Is caffeine intake a risk factor leading to infertility? An epidemiological syst
→ Infertility describe a woman who is unable to con
CRD42015020333 The effects of coffee and caffeine consumption on fecundity and fertility: a sys
→ Fecundity and fertility outcomes. The outcomes wil
CRD42015024074 Single dose oral ibuprofen plus caffeine for acute postoperative pain in adults
→ The Cochrane Pain, Palliative and Supportive Care
CRD42015026609 Systematic review of the adverse bone and calcium balance effects of caffeine co
→ Bone and calcium balance
CRD42015026673 Systematic review of the adverse cardiovascular effects of caffeine consumption
→ Cardiovascular
CRD42015026704 Systematic review of acute adverse effects of caffeine consumption in healthy ad
→ Acute toxicity
CRD42015026736 Systematic review of the adverse reproductive and developmental effects of caffe
→ Reproduction and development
CRD42015027413 Systematic review of the adverse behavioral effects of caffeine consumption in h
→ Behavior
CRD42016041224 Acute ingestion of caffeine attenuates insulin sensitivity in healthy subjects
→ The current meta-analysis reviewed the role of acu
CRD42016049455 Caffeine and ambulatory and diurnal hypertension: a systematic review
→ Nighttime nondipping of blood pressure, elevated n
CRD42016052844 Effectiveness of caffeine versus aminophylline for apnea of prematurity in prete
→ Apnea of prematurity.
📚 PubMed References
12 · cited researchPMID 31595831 Ilex paraguariensis extract provides increased resistance against oxidative stre
Nutr Neurosci
PMID 32050085 Immunomodulatory benefits of mesenchymal stem cells treated with Caffeine in adj
Life Sci
PMID 32392893 Maternal Caffeine Intake Disrupts Eggshell Integrity and Retards Larval Developm
Nutrients
PMID 32513156 Caffeine prevents hyperoxia-induced lung injury in neonatal mice through NLRP3 i
Respir Res
PMID 32621279 Caffeine Consumption plus Physical Exercise Improves Behavioral Impairments and
Mol Neurobiol
PMID 32831996 Prevention of Oxygen-Induced Inflammatory Lung Injury by Caffeine in Neonatal Ra
Oxid Med Cell Longev
PMID 33015038 Caffeine Targets SIRT3 to Enhance SOD2 Activity in Mitochondria
Front Cell Dev Biol
PMID 33123534 Caffeine Targets G6PDH to Disrupt Redox Homeostasis and Inhibit Renal Cell Carci
Front Cell Dev Biol
PMID 33143181 Effects of Phosphoethanolamine Supplementation on Mitochondrial Activity and Lip
Nutrients
PMID 33664417 Caffeine promotes angiogenesis through modulating endothelial mitochondrial dyna
Acta Pharmacol Sin
PMID 33720241 Caffeine promotes the expression of telomerase reverse transcriptase to regulate
Food Funct
PMID 33814004 Remedial effects of caffeine against depressive-like behaviour in mice by modula
Nutr Neurosci
How relationships are computed
- Clinical Trials / Meta-Analyses / References: direct foreign-key link via
subject_entity_id(Phase 2d wireup) - Formula ↔ Herbs: text bridge via
formulas.herbs_in_pinyinmatchingherbs.pinyin_name - Herb ↔ Ingredient:
empty — needs
HERB_herb_ingredientimport - Ingredient ↔ Target:
empty — needs
HERB_ingredient_targetimport - Target ↔ Disease:
empty — needs
HERB_target_diseaseimport - Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables