prunetin

Ligand id: 6919

Name: prunetin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.99
Molecular weight 284.07
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
Synonyms
4',5-dihydroxy-7-methoxyisoflavone
Database Links
CAS Registry No. 552-59-0 (source: Scifinder)
ChEMBL Ligand CHEMBL491174
PubChem CID 5281804
Search Google for chemical match using the InChIKey KQMVAGISDHMXJJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KQMVAGISDHMXJJ
Search UniChem for chemical match using the InChIKey KQMVAGISDHMXJJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KQMVAGISDHMXJJ
Wikipedia Prunetin
Comments
An aldehyde dehydrogenase inhibitor