3RL

Pterostilbene


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Chemical Component Summary

NamePterostilbene
Identifiers4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
FormulaC16 H16 O3
Molecular Weight256.296
TypeNON-POLYMER
Isomeric SMILESCOc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
InChIInChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB17939 
NamePterostilbene
Groups investigational
Synonyms
  • 3,5-DIMETHOXY-4'-HYDROXY-TRANS-STILBENE
  • PHENOL, 4-((1E)-2-(3,5-DIMETHOXYPHENYL)ETHENYL)-
  • Pterostilbene
  • EH-301 COMPONENT PTEROSTILBENE
Categories
  • Benzene Derivatives
  • Benzylidene Compounds
CAS number18259-15-9

Related Resource References

Resource NameReference
Pharos CHEMBL83527
PubChem 5281727
ChEMBL CHEMBL83527
ChEBI CHEBI:8630
CCDC/CSD OWAWAL, HURPOC, QAHWUU04, QAHWUU, YABHIU, OWAVUE, YABHAM, YABHAM01, QAHWUU03, UNAYIU, UNAYEQ, UNAYAM, UNAXUF, TATVIX01
COD 4500508, 7212585, 4500507, 7212583, 7212584