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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL83527
CHEMBL83527
Compound Name PTEROSTILBENE
ChEMBL Synonyms Pterostilbene | 4-(3,5-Dimethoxystyryl)Phenol | Pterostilben
Max Phase 0
Trade Names
Molecular Formula C16H16O3

Additional synonyms for CHEMBL83527 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Standard InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7- ...
Download InChI
Standard InChI Key VLEUZFDZJKSGMX-ONEGZZNKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL83527

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
256.3 256.1099 3.54 4 38.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.96 - 4.06 4.06 2 19 0.85

Structural Alerts

There are 3 structural alerts for CHEMBL83527. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VLEUZFDZJKSGMX-ONEGZZNKSA-N
PubChem SID: 26657958 SID: 26719768
Wikipedia Pterostilbene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL83527



ACToR 537-42-8
BindingDB 50131688
Brenda 28490 174401
ChEBI 8630
eMolecules 593240
EPA CompTox Dashboard DTXSID9041106
FDA SRS 26R60S6A5I
Guide to Pharmacology 2681
KEGG Ligand C10287
LINCS LSM-43245
LipidMaps LMPK13090015
Mcule MCULE-9355292115
Metabolights MTBLC8630
MolPort MolPort-000-881-877
NIH Clinical Collection SAM001246605
Nikkaji J2.032.037K J11.562B
PDBe 3RL
PubChem 5281727
PubChem: Drugs of the Future 12015690
PubChem: Thomson Pharma 14798822
Rhea 8630
SureChEMBL SCHEMBL20063
ZINC ZINC000000899213

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VLEUZFDZJKSGMX-ONEGZZNKSA-N spacer
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