phloretin

Ligand id: 4285

Name: phloretin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 97.99
Molecular weight 274.08
XLogP 1.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Database Links
BitterDB Ligand 909
CAS Registry No. 60-82-2 (source: Scifinder)
ChEBI CHEBI:17276
ChEMBL Ligand CHEMBL45068
DrugBank Ligand DB07810
Human Metabolome Database HMDB03306
PubChem CID 4788
RCSB PDB Ligand G50
Search Google for chemical match using the InChIKey VGEREEWJJVICBM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VGEREEWJJVICBM
Wikipedia Phloretin
Comments
Found in apple tree leaves and in the Manchurian apricot. Another naturally occuring organic molecule, phlorizin, which is found in the bark of several types of fruit tree, is converted into phloretin in the body by hydrolytic enzymes.