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⚗️ Ingredient

Orotic acid

1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Orotic acid
📋 Sample Trials
NCT00227058
Effects of Orotic Acid Derivatives With or Without Glutathione on Allergic Rhinitis
Completed
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Orotic acid
⚗️ Identity
Name
Orotic acid
Aliases / Synonyms
65-86-1; 6-Carboxyuracil; Oropur; Orodin; Orotonin; Orotyl; Orotonsan; Vitamin B13; Whey factor
🧪 Chemistry
Molecular Weight
156.0970
LogP
-1.2386
Drug-likeness
0.473
H-Bond Acceptors
3
H-Bond Donors
3
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1=C(NC(=O)NC1=O)C(=O)O
Isomeric SMILES
C1=C(NC(=O)NC1=O)C(=O)O
InChIKey
PXQPEWDEAKTCGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
🔗 External References
PubChem CID
NPASS
NPC101162
SymMap
18853
TCMID
25400; 16203
🔍 Raw view — every non-empty column on this row (29 fields)
name
Orotic acid
common names
65-86-1; 6-Carboxyuracil; Oropur; Orodin; Orotonin; Orotyl; Orotonsan; Vitamin B13; Whey factor
herb ingredient id
HBIN038297
canonical smiles
C1=C(NC(=O)NC1=O)C(=O)O
isomeric smiles
C1=C(NC(=O)NC1=O)C(=O)O
inchi
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
inchikey
PXQPEWDEAKTCGB-UHFFFAOYSA-N
mol wt
156.0970
num h acceptors
3
num h donors
3
mol logp
-1.2386
num rotatable bonds
1
drug likeness
0.473
symmap mol id
18853
tcmid ingredient id
25400; 16203
pubchem cid
967
npass id
NPC101162

📋 Clinical Trials

1 · subject of clinical study
NCT00227058 Effects of Orotic Acid Derivatives With or Without Glutathione on Allergic Rhini
→ Seasonal Allergic Rhinitis
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