pterostilbene

Ligand id: 2681

Name: pterostilbene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 38.69
Molecular weight 256.11
XLogP 4.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Database Links
BindingDB Ligand 50131688
CAS Registry No. 537-42-8 (source: Scifinder)
ChEBI CHEBI:8630
ChEMBL Ligand CHEMBL83527
PubChem CID 5281727
RCSB PDB Ligand 3RL
Search Google for chemical match using the InChIKey VLEUZFDZJKSGMX-ONEGZZNKSA-N
Search Google for chemicals with the same backbone VLEUZFDZJKSGMX
Search UniChem for chemical match using the InChIKey VLEUZFDZJKSGMX-ONEGZZNKSA-N
Search UniChem for chemicals with the same backbone VLEUZFDZJKSGMX
Wikipedia Pterostilbene