chrysin

Ligand id: 8789

Name: chrysin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.76
Molecular weight 254.06
XLogP 2.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5,7-dihydroxy-2-phenylchromen-4-one
Synonyms
NSC-407436
Database Links
ChEMBL Ligand CHEMBL117
PubChem CID 5281607
RCSB PDB Ligand 57D
Search Google for chemical match using the InChIKey RTIXKCRFFJGDFG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RTIXKCRFFJGDFG
Search UniChem for chemical match using the InChIKey RTIXKCRFFJGDFG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RTIXKCRFFJGDFG
Comments
Chrysin is a dietary flavinoid. It is reported to inhibit the EROD (7-ethoxyresorufin-O-deethylase) activity of the extrahepatic cytochrome P450 enzymes CYP1A1 and CYP1B1 [1].