01
Ingredients
(3as,6ar,9ar,9br)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
C15H18O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3as,6ar,9ar,9br)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
- Molecular Formula
- C15H18O2
- Molecular Weight
- No data
- Canonical SMILES
- C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
- Isomeric SMILES
- C=C1CC[C@@H]2[C@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C
- InChI
- InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14+/m0/s1
- Oral Bioavailability
- 61.196
- Drug Likeness
- 0.363
- 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.