01
Ingredients
(4as,7r)-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
C15H20O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4as,7r)-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
- Molecular Formula
- C15H20O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C
- Isomeric SMILES
- CC1=C2C[C@@H](CC[C@]2(C=CC1=O)C)C(=C)C
- InChI
- InChI=1S/C15H20O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h6,8,12H,1,5,7,9H2,2-4H3/t12-,15+/m1/s1
- Oral Bioavailability
- 35.464
- Drug Likeness
- 0.609
- 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