01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Lactone
- Molecular Formula
- C14H12O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
- Isomeric SMILES
- CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
- InChI
- InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
- Oral Bioavailability
- 20.713
- Drug Likeness
- 0.553
- 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.
Active Targets
ingredient target8 Targets