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⚗️ Ingredient

Nonivamide

1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Nonivamide
📋 Sample Trials
NCT01708915
Nonivamide/Nicoboxil Ointment in Acute Low Back Pain
Completed · Phase 3
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Nonivamide
⚗️ Identity
Name
Nonivamide
Aliases / Synonyms
2444-46-4; N-Vanillylnonanamide; Pseudocapsaicin; N-Vanillylnonamide; Pelargonic acid vanillylamide; N-(4-Hydroxy-3-methoxybenzyl)nonanamide; N-Vanillylpelargonamide; Nonanoic acid vanillylamide; N-Nonanoyl vanillylamide
🧪 Chemistry
Molecular Weight
293.4070
LogP
3.7676
Drug-likeness
0.646
Oral Bioavailability
67.0500
H-Bond Acceptors
3
H-Bond Donors
2
Rotatable Bonds
10
🔬 Structures
Canonical SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Isomeric SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChIKey
RGOVYLWUIBMPGK-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
🔗 External References
PubChem CID
CAS Number
NPASS
NPC93882
TCMID
31719; 15693
TCMSP
MOL008728
🔍 Raw view — every non-empty column on this row (31 fields)
name
Nonivamide
common names
2444-46-4; N-Vanillylnonanamide; Pseudocapsaicin; N-Vanillylnonamide; Pelargonic acid vanillylamide; N-(4-Hydroxy-3-methoxybenzyl)nonanamide; N-Vanillylpelargonamide; Nonanoic acid vanillylamide; N-Nonanoyl vanillylamide
herb ingredient id
HBIN037262
canonical smiles
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
isomeric smiles
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
inchi
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
inchikey
RGOVYLWUIBMPGK-UHFFFAOYSA-N
mol wt
293.4070
num h acceptors
3
num h donors
2
mol logp
3.7676
num rotatable bonds
10
drug likeness
0.646
ob score
67.0500
cas id
2444-46-4
tcmid ingredient id
31719; 15693
tcmsp ingredient id
MOL008728
pubchem cid
2998
npass id
NPC93882

🏥 Linked Health Topics

1 · diseases via target pathways

📋 Clinical Trials

1 · subject of clinical study
NCT01708915 Nonivamide/Nicoboxil Ointment in Acute Low Back Pain
→ Acute Low Back Pain
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