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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 Pterostilben | Pterostilbene | 4-(3,5-Dimethoxystyryl)Phenol
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

Structural Alerts

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

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

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
BindinDB 50131688
ChEBI 8630
eMolecules 593240
Guide to Pharmacology 2681
KEGG Ligand C10287
MolPort MolPort-000-881-877
NIH Clinical Collection SAM001246605
Nikkaji J2.032.037K J11.562B
PubChem 5281727
PubChem: Drugs of the Future 12015690
PubChem: Thomson Pharma 14798822
SureChEMBL SCHEMBL20063
ZINC ZINC00899213

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