01
Ingredients
(5r,6r)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
C15H18O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (5r,6r)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one
- Molecular Formula
- C15H18O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C
- Isomeric SMILES
- CC1=COC2=C1C(=O)[C@@H]([C@@](C2)(C)C=C)C(=C)C
- InChI
- InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1
- Oral Bioavailability
- 57.049
- Drug Likeness
- 0.725
- 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.