01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 32
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Columbamine
- Molecular Formula
- C20H20NO4+
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
- Isomeric SMILES
- COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
- InChI
- InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
- Oral Bioavailability
- 26.938
- Drug Likeness
- 0.746
- 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 ingredient8 Herbs