01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (e,e)-1-ethyl octadeca-3,13-dienoate
- Molecular Formula
- C20H36O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC=CCCCCCCCCC=CCC(=O)OCC
- Isomeric SMILES
- CCCC/C=C/CCCCCCCC/C=C/CC(=O)OCC
- InChI
- InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h7-8,17-18H,3-6,9-16,19H2,1-2H3/b8-7+,18-17+
- Oral Bioavailability
- 41.996
- Drug Likeness
- 0.200
- 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