01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2'-acetylangelicin
- Molecular Formula
- C13H8O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3
- Isomeric SMILES
- CC(=O)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3
- InChI
- InChI=1S/C13H8O4/c1-7(14)11-6-9-10(16-11)4-2-8-3-5-12(15)17-13(8)9/h2-6H,1H3
- Oral Bioavailability
- 30.774
- Drug Likeness
- 0.474
- 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