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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 3.58 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 4.05 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
ChemicalBook CB8373368
eMolecules 593240
EPA CompTox Dashboard DTXSID9041106
FDA SRS 26R60S6A5I
Guide to Pharmacology 2681
Human Metabolome Database HMDB0130987
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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