ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485747
CHEMBL485747
Compound Name HYDROXYTYROSOL
ChEMBL Synonyms Hydroxytyrosol
Max Phase 0
Trade Names
Molecular Formula C9H12O3

Additional synonyms for CHEMBL485747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCCc1ccc(O)c(O)c1
Standard InChI InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H ...
Download InChI
Standard InChI Key DPTPQXXDBLPEOP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL485747

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
168.2 168.0786 1.02 3 60.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.83 - .39 .39 1 12 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL485747. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPTPQXXDBLPEOP-UHFFFAOYSA-N
PubChem SID: 24841446
Wikipedia Hydroxytyrosol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485747



BindingDB 50448446
EPA CompTox Dashboard DTXSID10459000
IBM Patent System F495E41CEDEBFF6059203BB14070B5DA
Nikkaji J276.048G
PubChem 11217464
PubChem: Thomson Pharma 16300183
SureChEMBL SCHEMBL1234932
ZINC ZINC000013108132

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