01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 8,11-eicosadienoic acid,methyl ester
- Molecular Formula
- C21H38O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCCCCC=CCC=CCCCCCCC(=O)OC
- Isomeric SMILES
- CCCCCCCC/C=C/C/C=C/CCCCCCC(=O)OC
- InChI
- InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14H,3-9,12,15-20H2,1-2H3/b11-10+,14-13+
- Oral Bioavailability
- 39.667
- Drug Likeness
- 0.178
- 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 ingredient1 Herbs