01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Gmelofuran
- Molecular Formula
- C15H18O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C
- Isomeric SMILES
- C[C@H]1C[C@@H]2[C@H](CC(=O)C3=COC(=C23)C1=O)C(C)C
- InChI
- InChI=1S/C15H18O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10H,4-5H2,1-3H3/t8-,9+,10+/m0/s1
- Oral Bioavailability
- 46.329
- Drug Likeness
- 0.762
- 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 target6 Targets
02
03
04
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
05
06