01
Ingredients
2-[(1s)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate
C12H18O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-[(1s)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate
- Molecular Formula
- C12H18O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCC(CC1=O)C(C)(C)OC(=O)C
- Isomeric SMILES
- CC1=CC[C@@H](CC1=O)C(C)(C)OC(=O)C
- InChI
- InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3/t10-/m0/s1
- Oral Bioavailability
- 29.667
- Drug Likeness
- 0.656
- 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.
Source Herbs
herb ingredient1 Herbs
