01
Ingredients
(6s)-2-methyl-6-[(1s)-4-methylene-1-cyclohex-2-enyl]hept-2-en-4-one
C15H22O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (6s)-2-methyl-6-[(1s)-4-methylene-1-cyclohex-2-enyl]hept-2-en-4-one
- Molecular Formula
- C15H22O
- Molecular Weight
- No data
- Canonical SMILES
- CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1
- Isomeric SMILES
- C[C@@H](CC(=O)C=C(C)C)[C@@H]1CCC(=C)C=C1
- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14-/m0/s1
- Oral Bioavailability
- 43.907
- Drug Likeness
- 0.650
- 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.