naringenin   Click here for help

GtoPdb Ligand ID: 10298

Synonyms: BE-14348A | naringetol
Comment: Naringenin is a citrus fruit flavanone. It acts as an inhibitor of TRPM3 ion channel activity [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 86.99
Molecular weight 272.07
XLogP 2.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O
Isomeric SMILES Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O
InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
InChI Key FTVWIRXFELQLPI-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Synonyms Click here for help
BE-14348A | naringetol
Database Links Click here for help
ChEMBL Ligand CHEMBL32571
GtoPdb PubChem SID 381744979
PubChem CID 932
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UniChem Connectivity Search for chemical match using the InChIKey FTVWIRXFELQLPI-UHFFFAOYSA-N