Chemical Component Summary

Name2-tert-butylbenzene-1,4-diol
Identifiers2-tert-butylbenzene-1,4-diol
FormulaC10 H14 O2
Molecular Weight166.217
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)c1cc(ccc1O)O
InChIInChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKeyBGNXCDMCOKJUMV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count26
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07726 
Namet-Butylhydroquinone
Groups experimental
Synonyms
  • 2-tert-butylhydroquinone
  • tert-Butyl-1,4-benzenediol
  • tertiary-Butylhydroquinone
  • MTBHQ
  • tert-Butylhydroquinone
Categories
  • Antioxidants
  • Benzene Derivatives
  • Biological Factors
  • Calcium-Transporting ATPases, antagonists & inhibitors
  • Compounds used in a research, industrial, or household setting
CAS number1948-33-0

Drug Targets

NameTarget SequencePharmacological ActionActions
HemagglutininLVALALSQTAYSQITNGTTGNPIICLGHHAVENGTSVKTLTDNHVEVVSA...unknown
HemagglutininMKTIIALSYIFCLALGQDLPGNDNSTATLCLGHHAVPNGTLVKTITDDQI...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
PubChem 16043
ChEMBL CHEMBL242080
ChEBI CHEBI:78886
CCDC/CSD DIYYOB