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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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Evidence

23,295

trials · metas · refs

Plus 6,743 TCM formulas connecting herbs together

Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases

Quick picks: Taxol Oxytocin Morphine (?)-nicotine Testosterone Melatonin Caffeine L-ascorbic acid Progesterone Coumarins

⚗️ Ingredient

Theobromine

Open on HERB 2.0 ↗

Clinical Trials

Meta-Analyses

PubMed References

Top Conditions Studied with Theobromine

Cardiovascular Diseases 3 Cardiovascular Disease 1 Acute Bronchitis 1 All Original in vitro, animal and human studies published in 1 Mood 1 Dental Plaque|Dental Care 1

📋 Sample Trials

NCT01288547

Effects of Theobromine and Caffeine on Mood, Cognition and Blood Pressure

Completed

NCT01481389

The Effect of Theobromine on Blood Lipid Parameters in Healthy Subjects

Completed

NCT01544829

The Acute Effect of 2 Different Serving Regimens of Theobromine on Physiological Effects

Completed

📊 Sample Meta-Analyses

CRD42022279584

A comprehensive insight into the effect of theobromine on cardiovascular related risk factors: a systematic review of in vitro and in vivo studies

All Original in vitro, animal and human studies published in English language th

📚 Sample References

PMID 31965293

Theobromine alleviates diet-induced obesity in mice via phosphodiesterase-4 inhibition

Eur J Nutr · 2020

PMID 34748921

Theobromine enhances the conversion of white adipocytes into beige adipocytes in a PPARγ activation-dependent manner

J Nutr Biochem · 2021

⚗️ All Ingredient data fields for Theobromine

⚗️ Identity

Name

Theobromine

Aliases / Synonyms

83-67-0; 3,7-Dimethylxanthine; Diurobromine; Theosalvose; Santheose; Teobromin; Theostene; Thesodate; Thesal

🧪 Chemistry

Molecular Weight

180.1670

LogP

-1.0397

Drug-likeness

0.562

Oral Bioavailability

69.2870

H-Bond Acceptors

H-Bond Donors

🔬 Structures

Canonical SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

InChIKey

YAPQBXQYLJRXSA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

🔗 External References

HERB DB

PubChem CID

CAS Number

DrugBank

NPASS

NPC119133

HIT

C0442

SymMap

8131

TCMID

21294

TCMSP

MOL006527

TCM-ID

501

🔍 Raw view — every non-empty column on this row (35 fields)

name

Theobromine

common names

83-67-0; 3,7-Dimethylxanthine; Diurobromine; Theosalvose; Santheose; Teobromin; Theostene; Thesodate; Thesal

herb ingredient id

HBIN046280

canonical smiles

CN1C=NC2=C1C(=O)NC(=O)N2C

isomeric smiles

CN1C=NC2=C1C(=O)NC(=O)N2C

inchi

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

inchikey

YAPQBXQYLJRXSA-UHFFFAOYSA-N

mol wt

180.1670

num h acceptors

num h donors

mol logp

-1.0397

num rotatable bonds

drug likeness

0.562

ob score

69.2870

cas id

83-67-0

symmap mol id

8131

tcmid ingredient id

21294

tcmsp ingredient id

MOL006527

tcm id ingredient id

501

pubchem cid

5429

drugbank id

DB01412

npass id

NPC119133

hit id

C0442

🏥 Linked Health Topics

2 · studied for these conditions (text bridge)

Cardiovascular Diseases

group

Acute Bronchitis

syndrome

📋 Clinical Trials

7 · subject of clinical study

NCT01288547 Effects of Theobromine and Caffeine on Mood, Cognition and Blood Pressure

→ Mood

NCT01481389 The Effect of Theobromine on Blood Lipid Parameters in Healthy Subjects

→ Cardiovascular Diseases

NCT01544829 The Acute Effect of 2 Different Serving Regimens of Theobromine on Physiological

→ Cardiovascular Diseases

NCT02085109 The Effects of Fat and Theobromine on apoA-I

→ Cardiovascular Diseases

NCT02209025 Theobromine, Vascular Function and Intestinal apoA-I Production

→ Cardiovascular Disease

NCT05187507 Effectiveness of Theobromine Toothpaste

→ Dental Plaque|Dental Care

NCT01416480 Clinical Trial to Evaluate the Safety and Efficacy of "Theobromine Capsule" as a

→ Acute Bronchitis

📊 Meta-Analyses

1 · systematic review

CRD42022279584 A comprehensive insight into the effect of theobromine on cardiovascular related

→ All Original in vitro, animal and human studies pu

📚 PubMed References

2 · cited research

PMID 31965293 Theobromine alleviates diet-induced obesity in mice via phosphodiesterase-4 inhi

Eur J Nutr

PMID 34748921 Theobromine enhances the conversion of white adipocytes into beige adipocytes in

J Nutr Biochem

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_pinyin matching herbs.pinyin_name
Herb ↔ Ingredient: empty — needs HERB_herb_ingredient import
Ingredient ↔ Target: empty — needs HERB_ingredient_target import
Target ↔ Disease: empty — needs HERB_target_disease import
Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables