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Ingredient
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Gene Target
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Disease
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Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
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⚗️ Ingredient

Octanol

Open on HERB 2.0 ↗
1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Octanol
Essential Tremor 1
📋 Sample Trials
NCT00080366
Octanol to Treat Essential Tremor
Completed · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Octanol
⚗️ Identity
Name
Octanol
Aliases / Synonyms
1-octanol; Octan-1-ol; 111-87-5; N-octanol; Octyl alcohol; Capryl alcohol; caprylic alcohol; n-Octyl alcohol; Heptyl carbinol
🧪 Chemistry
Molecular Weight
130.2310
LogP
2.3392
Drug-likeness
0.547
Oral Bioavailability
21.0570
H-Bond Acceptors
1
H-Bond Donors
1
Rotatable Bonds
6
🔬 Structures
Canonical SMILES
CCCCCCCCO
Isomeric SMILES
CCCCCCCCO
InChIKey
KBPLFHHGFOOTCA-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
🔗 External References
HERB DB
HBIN037796 ↗
PubChem CID
957 ↗
CAS Number
111-87-5; 20296-29-1 ↗
NPASS
NPC122962
TCMID
15967; 34248; 15968
TCMSP
MOL001285
TCM-ID
2154; 8021; 2153
🔍 Raw view — every non-empty column on this row (32 fields)
name
Octanol
common names
1-octanol; Octan-1-ol; 111-87-5; N-octanol; Octyl alcohol; Capryl alcohol; caprylic alcohol; n-Octyl alcohol; Heptyl carbinol
herb ingredient id
HBIN037796
canonical smiles
CCCCCCCCO
isomeric smiles
CCCCCCCCO
inchi
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
inchikey
KBPLFHHGFOOTCA-UHFFFAOYSA-N
mol wt
130.2310
num h acceptors
1
num h donors
1
mol logp
2.3392
num rotatable bonds
6
drug likeness
0.547
ob score
21.0570
cas id
111-87-5; 20296-29-1
tcmid ingredient id
15967; 34248; 15968
tcmsp ingredient id
MOL001285
tcm id ingredient id
2154; 8021; 2153
pubchem cid
957
npass id
NPC122962

🏥 Linked Health Topics

1 · diseases via target pathways
Essential Tremor
syndrome

📋 Clinical Trials

1 · subject of clinical study
NCT00080366 Octanol to Treat Essential Tremor
→ Essential Tremor
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