01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Dehydrocrebanine
- Molecular Formula
- C20H19NO4
- Molecular Weight
- No data
- Canonical SMILES
- CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
- Isomeric SMILES
- CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
- InChI
- InChI=1S/C20H19NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8-9H,6-7,10H2,1-3H3
- Oral Bioavailability
- 20.086
- Drug Likeness
- 0.667
- 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.