01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Fraxinellone
- Molecular Formula
- C14H16O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3
- Isomeric SMILES
- CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3
- InChI
- InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
- Oral Bioavailability
- 35.955
- Drug Likeness
- 0.697
- 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