C21 H14 O4 S
A1IAL
(3-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](3-hydro...Show more
Formula
Standard InChI
InChI=1S/C21H14O4S/c22-14-6-4-12(5-7-14)21-19(17-9-8-16(24)11-18(17)26-21)20(25)13-2-1-3-15(23)10-13/h1-11,22-24H
Standard InChI Key
DWFBIALOCDMBGC-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)O)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)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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