01
Ingredients
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
C13H20O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- Molecular Formula
- C13H20O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C(CCC1)(C)C)C=CC(=O)C
- Isomeric SMILES
- CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
- InChI
- InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.610
- 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 ingredient2 Herbs