01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Caffeic acid phenethyl ester
- Molecular Formula
- C17H16O4
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O
- Isomeric SMILES
- C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O
- InChI
- InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.503
- 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