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⚗️ Ingredient

Salicylamine

1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Salicylamine
📋 Sample Trials
NCT04433091
2-Hydroxybenzylamine (2-HOBA) to Prevent Early Recurrence of Atrial Fibrillation After Catheter-based Ablation
Active_Not_Recruiting · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Salicylamine
⚗️ Identity
Name
Salicylamine
Aliases / Synonyms
2-(Aminomethyl)phenol; 932-30-9; 2-hydroxybenzylamine; (Aminomethyl)phenol; o-hydroxybenzylamine; 50312-64-6; 2-HOBA; 2-aminomethylphenol; MFCD00870498; NSC-127870
🧪 Chemistry
Molecular Weight
123.1550
LogP
0.8509
Drug-likeness
0.581
H-Bond Acceptors
2
H-Bond Donors
2
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1=CC=C(C(=C1)CN)O
Isomeric SMILES
C1=CC=C(C(=C1)CN)O
InChIKey
KPRZOPQOBJRYSW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
🔗 External References
PubChem CID
NPASS
NPC133746
TCMID
19171
🔍 Raw view — every non-empty column on this row (28 fields)
name
Salicylamine
common names
2-(Aminomethyl)phenol; 932-30-9; 2-hydroxybenzylamine; (Aminomethyl)phenol; o-hydroxybenzylamine; 50312-64-6; 2-HOBA; 2-aminomethylphenol; MFCD00870498; NSC-127870
herb ingredient id
HBIN042851
canonical smiles
C1=CC=C(C(=C1)CN)O
isomeric smiles
C1=CC=C(C(=C1)CN)O
inchi
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
inchikey
KPRZOPQOBJRYSW-UHFFFAOYSA-N
mol wt
123.1550
num h acceptors
2
num h donors
2
mol logp
0.8509
num rotatable bonds
1
drug likeness
0.581
tcmid ingredient id
19171
pubchem cid
70267
npass id
NPC133746

🏥 Linked Health Topics

1 · diseases via target pathways

📋 Clinical Trials

1 · subject of clinical study
NCT04433091 2-Hydroxybenzylamine (2-HOBA) to Prevent Early Recurrence of Atrial Fibrillation
→ Atrial Fibrillation
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