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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43065
CHEMBL43065
Compound Name OXYRESVERATROL
ChEMBL Synonyms Trans-2,4,3',5'-Tetrahydroxystilbene | Oxyresveratrol
Max Phase 0
Trade Names
Molecular Formula C14H12O4

Additional synonyms for CHEMBL43065 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Standard InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-1 ...
Download InChI
Standard InChI Key PDHAOJSHSJQANO-OWOJBTEDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43065

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
244.3 244.0736 2.68 2 80.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.14 - 2.55 2.54 2 18 0.61

Structural Alerts

There are 3 structural alerts for CHEMBL43065. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PDHAOJSHSJQANO-OWOJBTEDSA-N
PubChem SID: 85148697

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43065



ACToR 29700-22-9
BindingDB 50108046
Brenda 68775
ChEBI 7870
ChemicalBook CB21457948
eMolecules 5756988
FDA SRS 6V071CP5CR
Human Metabolome Database HMDB0128505
KEGG Ligand C10273
LipidMaps LMPK13090011
Mcule MCULE-6461324045
MolPort MolPort-001-741-218
Nikkaji J1.642.690C J442.519G
NMRShiftDB 20246978
PDBe EZE
PubChem 5281717
PubChem: Thomson Pharma 14847544
SureChEMBL SCHEMBL501690
ZINC ZINC000000899161

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