C16 H12 O7
IRH
isorhamnetin
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
Isorhamnetol, Isorhamnetin, 3-Methylquercetin, 3'-Methylquer...Show more
Formula
Standard InChI
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Standard InChI Key
IZQSVPBOUDKVDZ-UHFFFAOYSA-N
SMILES
COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)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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