phlorizin

Ligand id: 4757

Name: phlorizin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 7
Rotatable bonds 7
Topological polar surface area 177.14
Molecular weight 436.14
XLogP 0.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
Database Links
CAS Registry No. 60-81-1 (source: Scifinder)
ChEBI CHEBI:8113
ChEMBL Ligand CHEMBL245067
PubChem CID 6072
Search Google for chemical match using the InChIKey IOUVKUPGCMBWBT-QNDFHXLGSA-N
Search Google for chemicals with the same backbone IOUVKUPGCMBWBT
Wikipedia Phlorizin
Comments
Found in the bark of several types of fruit tree. Within the body, phlorizin (which also occurs naturally) is converted into phloretin by hydrolytic enzymes.