01
Ingredients
(4ar)-1,1,4a-trimethyl-4,5,6,7-tetrahydro-3h-naphthalen-2-one
C13H20O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4ar)-1,1,4a-trimethyl-4,5,6,7-tetrahydro-3h-naphthalen-2-one
- Molecular Formula
- C13H20O
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C(=O)CCC2(C1=CCCC2)C)C
- Isomeric SMILES
- C[C@]12CCCC=C1C(C(=O)CC2)(C)C
- InChI
- InChI=1S/C13H20O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h6H,4-5,7-9H2,1-3H3/t13-/m1/s1
- Oral Bioavailability
- 60.231
- Drug Likeness
- 0.537
- 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