C16 H20 O2
A1ESS
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexa-2,3-dienoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexa-2,3-dienoic acid
Formula
Standard InChI
InChI=1S/C16H20O2/c1-12-7-5-6-8-13(12)11-14(15(17)18)9-10-16(2,3)4/h5-8,10H,11H2,1-4H3,(H,17,18)/t9-/m0/s1
Standard InChI Key
HFSPPWGSBQSDNV-VIFPVBQESA-N
SMILES
Cc1ccccc1CC(=C=CC(C)(C)C)C(=O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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