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
Classification
Compound class Natural product or derivative
IUPAC Name
3,5,7-trihydroxy-2-phenylchromen-4-one
Synonyms
3,5,7-trihydroxyflavone | 3,5,7-triOH-flavone | norizalpinin | NSC-407229
Database Links
BindingDB Ligand 50049391
CAS Registry No. 548-83-4
ChEBI CHEBI:5262
ChEMBL Ligand CHEMBL309490
GtoPdb PubChem SID 135650295
PubChem CID 5281616
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Tocris
Galangin
Cat. No. 6494