01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Trans-caffeicaldehyde
- Molecular Formula
- C9H8O3
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=C(C=C1C=CC=O)O)O
- Isomeric SMILES
- C1=CC(=C(C=C1/C=C/C=O)O)O
- InChI
- InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.393
- 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