01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Embelin
- Molecular Formula
- C17H26O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
- Isomeric SMILES
- CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
- InChI
- InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
- Oral Bioavailability
- 37.718
- Drug Likeness
- 0.465
- 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