01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3,4,5,6-tetradehydrospartein-2-one
- Molecular Formula
- C15H20N2O
- Molecular Weight
- No data
- Canonical SMILES
- C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
- Isomeric SMILES
- C1CCN2C[C@@H]3C[C@@H]([C@H]2C1)CN4C3=CC=CC4=O
- InChI
- InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13+/m0/s1
- Oral Bioavailability
- 71.259
- Drug Likeness
- 0.695
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target1 Targets