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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8320
CHEMBL8320
Compound Name BENZOQUINONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H4O2

Additional synonyms for CHEMBL8320 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=CC(=O)C=C1
Standard InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Standard InChI Key AZQWKYJCGOJGHM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8320

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
108.1 108.0211 0.69 0 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .39 .39 0 8 0.43

Structural Alerts

There are 11 structural alerts for CHEMBL8320. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AZQWKYJCGOJGHM-UHFFFAOYSA-N
PubChem SID: 144209218 SID: 144213287 SID: 17390020 SID: 50105510 SID: 85230932 SID: 85272565 SID: 90340661
Wikipedia 1,4-Benzoquinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8320



ACToR 3225-29-4 106-51-4
BindingDB 22774
Brenda 315 2350 205412 1655 1674 15910 13259
ChEBI 16509
eMolecules 479634
EPA CompTox Dashboard DTXSID6020145
FDA SRS 3T006GV98U
Guide to Pharmacology 6307
Human Metabolome Database HMDB0003364
IBM Patent System 646967B1039F54ED998B1B9BA79D8CAF 8D744E982BE48683311423ADC01A3B0E
KEGG Ligand C00472
Mcule MCULE-2576853438
Metabolights MTBLC16509
MolPort MolPort-001-760-607
Nikkaji J5.052K J956.405E
NMRShiftDB 10015929
PDBe PLQ
PubChem 4650
PubChem: Thomson Pharma 15321165
Rhea 16509
SureChEMBL SCHEMBL18103
ZINC ZINC000000895247

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