genistein

Ligand Id: 2826
Ligand name genistein

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 86.99
Molecular weight 270.05
XLogP 1.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
DrugBank groups experimental
IUPAC Name
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Synonyms
5,7,4'-trihydroxyisoflavone
Database Links
BindingDB Ligand 19459
CAS Registry No. 446-72-0 (source: Scifinder)
ChEMBL Ligand 451961
DrugBank Ligand DB01645
Human Metabolome Database HMDB03217
NURSA Ligand 1013
PubChem CID 5280961
RCSB PDB Ligand GEN
Search Google for chemical match using the InChIKey TZBJGXHYKVUXJN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TZBJGXHYKVUXJN
Wikipedia Genistein
ZINC ZINC18825330