01
Ingredients
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8e-nonadienyl] pyrrolidine
C20H25NO3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8e-nonadienyl] pyrrolidine
- Molecular Formula
- C20H25NO3
- Molecular Weight
- No data
- Canonical SMILES
- C1CCN(C1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3
- Isomeric SMILES
- C1CCN(C1)C(=O)/C=C/CCCC/C=C\C2=CC3=C(C=C2)OCO3
- InChI
- InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5-,10-6+
- Oral Bioavailability
- 49.425
- Drug Likeness
- 0.557
- 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 target8 Targets
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