01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
- Molecular Formula
- C11H12O5
- Molecular Weight
- No data
- Canonical SMILES
- CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
- Isomeric SMILES
- CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O
- InChI
- InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.598
- 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