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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL17594
CHEMBL17594
Compound Name QUINIZARIN
ChEMBL Synonyms Quinizarin | 1,4-Dihydroxyanthraquinone | 1,4 Dihydroxy-Anthraquinone | 1,4-Dihydroxy-Anthraquinone
Max Phase 0
Trade Names
Molecular Formula C14H8O4

Additional synonyms for CHEMBL17594 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Standard InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7 ...
Download InChI
Standard InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL17594

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
240.2 240.0423 1.87 0 74.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.54 - 3.72 3.48 2 18 0.59

Structural Alerts

There are 8 structural alerts for CHEMBL17594. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GUEIZVNYDFNHJU-UHFFFAOYSA-N
PubChem SID: 144212358 SID: 50109933 SID: 540922
Wikipedia 1,4-Dihydroxyanthraquinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL17594



ACToR 81-64-1 103220-12-8
BindingDB 50240382
Brenda 28095 11244 15943
ChEBI 37487
ChemicalBook CB7730041
eMolecules 502467
EPA CompTox Dashboard DTXSID8044464
FDA SRS 8S496ZV3CS
IBM Patent System F66E5C92B942D6CFAE7F3C8A8764FD03
Mcule MCULE-3130863142
MolPort MolPort-000-645-297
Nikkaji J3.861J
NMRShiftDB 30100965
PubChem 6688
PubChem: Thomson Pharma 15121901
SureChEMBL SCHEMBL160038
ZINC ZINC000003847495

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