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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL53566
CHEMBL53566
Compound Name TYROSOL
ChEMBL Synonyms tyrosol
Max Phase 0
Trade Names
Molecular Formula C8H10O2

Additional synonyms for CHEMBL53566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCc1ccc(O)cc1
Standard InChI InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
Standard InChI Key YCCILVSKPBXVIP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL53566

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
138.2 138.0681 1.3 2 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 - .85 .85 1 10 0.65

Structural Alerts

There are no structural alerts for CHEMBL53566

Compound Cross References

ChemSpider ChemSpider:YCCILVSKPBXVIP-UHFFFAOYSA-N
PubChem SID: 57260137
Wikipedia Tyrosol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL53566



ACToR 501-94-0
BindingDB 50339585
Brenda 45201 103832 136182 106969 43449 77162 19089 25594 29347
ChEBI 1879
eMolecules 486690
EPA CompTox Dashboard DTXSID8060111
FDA SRS 1AK4MU3SNX
Human Metabolome Database HMDB0004284
IBM Patent System 7E6EAE73F78A839A25F0A5ADCB20832E
KEGG Ligand C06044
Mcule MCULE-9268661621
Metabolights MTBLC1879
MolPort MolPort-000-139-897
Nikkaji J68J
NMRShiftDB 20032724
PDBe YRL
PubChem 10393
PubChem: Thomson Pharma 15120020
SureChEMBL SCHEMBL43838
ZINC ZINC000000164581

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