01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 5-o-methylembelin
- Molecular Formula
- C18H28O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
- Isomeric SMILES
- CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
- InChI
- InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.454
- 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 ingredient2 Herbs