flavone

Ligand id: 409

Name: flavone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 26.3
Molecular weight 222.07
XLogP 4.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
2-phenylchromen-4-one
Database Links
BindingDB Ligand 50028962
BitterDB Ligand 868
CAS Registry No. 525-82-6 (source: NCI)
ChEBI CHEBI:42491
ChEMBL Ligand CHEMBL275638
DrugBank Ligand DB07776
Human Metabolome Database HMDB03075
PubChem CID 10680
RCSB PDB Ligand FLN
Search Google for chemical match using the InChIKey VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VHBFFQKBGNRLFZ
Comments
The name 'flavone' is used to refer to the simplest structure within a class of compounds with the backbone structure 2-phenylchromen-4-one, generally referred to as the flavones.