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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

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
ChEBI 1879
eMolecules 486690
EPA CompTox Dashboard DTXSID8060111
FDA SRS 1AK4MU3SNX
Human Metabolome Database HMDB04284
IBM Patent System 7E6EAE73F78A839A25F0A5ADCB20832E
KEGG Ligand C06044
Mcule MCULE-9268661621
MolPort MolPort-000-139-897
Nikkaji J68J
NMRShiftDB 20032724
PDBe YRL
PubChem 10393
PubChem: Thomson Pharma 15120020
SureChEMBL SCHEMBL43838
ZINC ZINC00164581

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