01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (9z,11z,13e)-octadeca-9,11,13-trienoic acid
- Molecular Formula
- C18H30O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC=CC=CC=CCCCCCCCC(=O)O
- Isomeric SMILES
- CCCC/C=C/C=C\C=C/CCCCCCCC(=O)O
- InChI
- InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9-
- Oral Bioavailability
- 44.902
- Drug Likeness
- 0.348
- 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