resveratrol

Ligand id: 8741

Name: resveratrol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 60.69
Molecular weight 228.08
XLogP 3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Synonyms
3,4',5-stilbenetriol
3,5,4'-trihydroxystilbene
trans-resveratrol
Database Links
ChEMBL Ligand CHEMBL165
DrugBank Ligand DB02709
PubChem CID 445154
RCSB PDB Ligand STL
Search Google for chemical match using the InChIKey LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Search Google for chemicals with the same backbone LUKBXSAWLPMMSZ
Comments
Resveratrol is a natural product found in the skins of grapes and some other berries used predominantly as an antioxidant dietery supplement [6,10-11]. The compound exists as a mixture of trans- (shown here) and cis- (PubChem CID 1548910) conformations. Resveratrol has been investigated for its various roles in complex biological processes [1,3-4,8-9,14,16]. It has some activity as a cyclooxygenase inhibitor/antiinflammatory agent.