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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
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Ingredient
44,598
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🧬
Gene Target
15,695
→
🏥
Disease
30,467
→
🧪
Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
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⚗️ Ingredient

Zinc03860434

Open on HERB 2.0 ↗
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Zinc03860434
⚗️ Identity
Name
Zinc03860434
🧪 Chemistry
Molecular Weight
390.5640
LogP
6.4330
Drug-likeness
0.343
Oral Bioavailability
43.5930
H-Bond Acceptors
4
Rotatable Bonds
14
🔬 Structures
Canonical SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
Isomeric SMILES
CCCC[C@@H](CC)COC(=O)C1=CC=CC=C1C(=O)OC[C@H](CC)CCCC
InChIKey
BJQHLKABXJIVAM-WOJBJXKFSA-N
InChI
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20-/m1/s1
🔗 External References
HERB DB
HBIN048965 ↗
PubChem CID
7057921 ↗
CAS Number
117-81-7 ↗
SymMap
4116
TCMSP
MOL001749
🔍 Raw view — every non-empty column on this row (31 fields)
name
Zinc03860434
herb ingredient id
HBIN048965
canonical smiles
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
isomeric smiles
CCCC[C@@H](CC)COC(=O)C1=CC=CC=C1C(=O)OC[C@H](CC)CCCC
inchi
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20-/m1/s1
inchikey
BJQHLKABXJIVAM-WOJBJXKFSA-N
mol wt
390.5640
num h acceptors
4
num h donors
0
mol logp
6.4330
num rotatable bonds
14
drug likeness
0.343
ob score
43.5930
cas id
117-81-7
symmap mol id
4116
tcmsp ingredient id
MOL001749
pubchem cid
7057921
tcmsp mol id
MOL001749
tcmsp molecule id
1749

🌿 Related Herbs

1 · contains this compound
Ephedra
Ma Huang

🧬 Gene / Protein Targets

4 · directly binds these targets
Muscarinic acetylcholine receptor M1
Sodium channel protein type 5 subunit alpha
Beta-2 adrenergic receptor
Muscarinic acetylcholine receptor M3

🏥 Linked Health Topics

25 · diseases via target pathways
Alzheimer'S Disease
syndrome
Schizophrenia
disease
Bronchospasm (histamine induced)
disease
Cognitive deficits
disease
Pain
phenotype
Sustained Ventricular Tachycardia
syndrome
Epileptic Seizures
phenotype
Analgesics
disease
Cardiac dysrhythmias
disease
Refractory partial epilepsy
disease
Asthma
syndrome
Glaucoma
syndrome
Inflammation
phenotype
Multiple Sclerosis
syndrome
Respiratory Distress Syndrome
syndrome
Cardiac arrhythmias
disease
Chronic obstructive pulmonary disease, unspecified
disease
Anxiety disorder, unspecified
disease
Hypertension
disease
Depression
disease
Obstructive airway disease
disease
Skeletal muscle wasting
disease
Skeletal muscle weakness
disease
Urge Incontinence
phenotype
Airway hyperreactivity
disease
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: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables