01
Ingredients
(e)-7-(1,3-benzodioxol-5-yl)-1-piperidino-hept-6-en-1-one
C19H25NO3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (e)-7-(1,3-benzodioxol-5-yl)-1-piperidino-hept-6-en-1-one
- Molecular Formula
- C19H25NO3
- Molecular Weight
- No data
- Canonical SMILES
- C1CCN(CC1)C(=O)CCCCC=CC2=CC3=C(C=C2)OCO3
- Isomeric SMILES
- C1CCN(CC1)C(=O)CCCC/C=C/C2=CC3=C(C=C2)OCO3
- InChI
- InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+
- Oral Bioavailability
- 54.190
- Drug Likeness
- 0.745
- 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.
Source Herbs
herb ingredient2 Herbs
