eriodictyol chalcone   Click here for help

GtoPdb Ligand ID: 12443

Synonyms: 2',3,4,4',6'-Pentahydroxychalcone | Eriodictyolchalcone
Comment: Eriodictyol chalcone is a bitter tasting compound that is present in Limonium sp. plants.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 118.22
Molecular weight 288.25
XLogP 1.89
No. Lipinski's rules broken 0
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Canonical SMILES C1=C(/C=C/C(=O)C2=C(C=C(C=C2O)O)O)C=C(C(=C1)O)O
Isomeric SMILES C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O
InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TAS2R14 Hs Agonist Agonist 4.4 pEC50 - 1
pEC50 4.4 (EC50 4.07x10-5 M) [1]