galangin   

GtoPdb Ligand ID: 410

Synonyms: 3,5,7-trihydroxyflavone | 3,5,7-triOH-flavone | norizalpinin | NSC-407229
Comment: A flavonol found in high concentrations in Alpinia officinarum and other members of the ginger family, that is used in traditional Chinese medicine.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 90.9
Molecular weight 270.05
XLogP 3.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1
Isomeric SMILES Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1
InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChI Key VCCRNZQBSJXYJD-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 [1]
A2A receptor Hs Antagonist Antagonist 6.0 pKi - 1
pKi 6.0 [1]
A3 receptor Hs Antagonist Antagonist 5.5 pKi - 1
pKi 5.5 [1]
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPC5 Hs Channel blocker - 6.3 pKi - 2
pKi 6.3 (Ki 4.5x10-7 M) [2]
Description: Inhibition of lanthanide-evoked calcium entry in HEK 293 cells overexpressing hTRPC5, by patch-clamp recording.