quercetin

Ligand id: 5346

Name: quercetin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 5
Rotatable bonds 1
Topological polar surface area 127.45
Molecular weight 302.04
XLogP 0.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Database Links
BitterDB Ligand 444
CAS Registry No. 117-39-5
ChEBI CHEBI:16243
ChEMBL Ligand CHEMBL50
DrugBank Ligand DB04216
Human Metabolome Database HMDB05794
PubChem CID 5280343
RCSB PDB Ligand QUE
Search Google for chemical match using the InChIKey REFJWTPEDVJJIY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone REFJWTPEDVJJIY
Wikipedia Quercetin