TXQ

1,2,5,8-tetrahydroxyanthracene-9,10-dione

Created:2008-12-22
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of TXQ
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Chemical Component Summary

Name1,2,5,8-tetrahydroxyanthracene-9,10-dione
Synonyms1,2,5,8-tetrahydroxy-anthraquinone
Systematic Name (OpenEye OEToolkits)1,2,5,8-tetrahydroxyanthracene-9,10-dione
FormulaC14 H8 O6
Molecular Weight272.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
SMILESCACTVS3.341Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
SMILESOpenEye OEToolkits1.5.0c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O
Canonical SMILESCACTVS3.341 Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O
InChIInChI1.03 InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKeyInChI1.03 VBHKTXLEJZIDJF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08660 
NameQuinalizarin
Groups experimental
Synonyms
  • 1,2,5,8-tetrahydroxyanthracene-9,10-dione
  • Alizarinbordeaux
  • Alizarine Bordeaux B
  • Quinalizarin
  • 1,4,5,6-tetrahydroxyanthraquinone
Categories
  • Anthracenes
  • Quinones
CAS number81-61-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Casein kinase II subunit alphaMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKY...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL29898
PubChem 5004
ChEMBL CHEMBL29898
ChEBI CHEBI:37495