flavone   Click here for help

GtoPdb Ligand ID: 409

PDB Ligand
Comment: The name 'flavone' is used to refer to the simplest structure within a class of compounds with the backbone structure 2-phenylchromen-4-one, generally referred to as the flavones.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 30.21
Molecular weight 222.07
XLogP 4.89
No. Lipinski's rules broken 0
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Canonical SMILES O=c1cc(oc2c1cccc2)c1ccccc1
Isomeric SMILES O=c1cc(oc2c1cccc2)c1ccccc1
InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Antagonist Antagonist 5.5 pKi - 1
pKi 5.5 [1]
A2A receptor Hs Antagonist Antagonist 5.5 pKi - 1
pKi 5.5 [1]
A3 receptor Hs Antagonist Antagonist 4.8 pKi - 1
pKi 4.8 [1]