HQE

benzene-1,4-diol

Created: 2012-03-14
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count6
2D diagram of HQE

Chemical Component Summary

Namebenzene-1,4-diol
Systematic Name (OpenEye OEToolkits)benzene-1,4-diol
FormulaC6 H6 O2
Molecular Weight110.111
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Oc1ccc(O)cc1
SMILESCACTVS3.370Oc1ccc(O)cc1
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1O)O
Canonical SMILESCACTVS3.370 Oc1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(ccc1O)O
InChIInChI1.03 InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKeyInChI1.03 QIGBRXMKCJKVMJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB09526 
NameHydroquinone
Groups
  • approved
  • investigational
DescriptionHydroquinone is a topical lightening product found in OTC products, and is used to correct skin discoloration associated with disorders of hyperpigmentation including melasma, post-inflammatory hyperpigmention, sunspots, and freckles. It can be used alone, but is more frequently found in combination with other agents such as alpha-hydroxy acids, corticosteroids, retinoids, or sunscreen. Hydroquinone has come under scrutiny due to several complications associated with its use, including dermal irritation, exogenous onchronosis, and carginogenicity. As a result of these concerns, hydroquinone has been banned in the EU and UK.
Synonyms
  • p-hydroxyphenol
  • 4-Hydroxyphenol
  • p-Hydroquinone
  • benzene-1,4-diol
  • p-Benzenediol
Brand Names
  • Esoterica Scented-fortified With Sunscreen
  • NU-DERM System NORMAL-Oily SKIN TRANSFORMATION
  • Crusader Skin Lightening
  • Restoration Serum Epione
  • REVERSE Lightening Regimen for the Appearance of Stubborn Dark Marks, Patches and Age Spots
IndicationHydroquinone is used as an OTC topical lightening agent for disorders of hyperpigmentation including melasma, post-inflammatory hyperpigmention, sunspots and freckles.
Categories
  • Antioxidants
  • Benzene Derivatives
  • Biological Factors
  • Compounds used in a research, industrial, or household setting
  • Depigmenting Agents
ATC-CodeD11AX11
CAS number123-31-9

Drug Targets

NameTarget SequencePharmacological ActionActions
TyrosinaseMLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLS...unknowninhibitor
Cysteinyl leukotriene receptor 1MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIK...unknownactivator
Lysosomal alpha-glucosidaseMGVRHPPCSHRLLAVCALVSLATAALLGHILLHDFLLVPRELSGSSPVLE...unknownproduct of
Serum albuminMKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...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 CHEMBL537
PubChem 785
ChEMBL CHEMBL537
ChEBI CHEBI:17594
CCDC/CSD BATRET, CPFEHQ, CIRWEG, AXILUQ, EBILUX, BOKHUG, CEFDOG, COHWIF01, CISCOW, CAKZEV, DOMBEN, BIRQUO, EDAYUG, COZZIB, EDAYEQ, BAVKOA, CABWAD, COHWIF03, ABORAM, COZZOH, BAMZUN01, ACESIL, BAMZUN, AVEKER, EBIMEI, COHWIF02, BUSPAG, BZMETD, EKESIY04, EKESIY05, DIZCEV, DAMPOZ, DAMPOZ01, EKESIY01, EKESIY02, BAMZUN02, EKESIY03, EKESIY06, EKESAQ02, EKESAQ01, ABOQUF, BACRAB, CIPLES, CARWUP, BAMZUN03, COHWIF, CARWUP02, CARWUP01, AVEKIY
COD 2100714, 2100715, 2100716, 2100717, 2211791, 2103388, 2204577, 2100228, 2100231