EYK

2-tert-butylbenzene-1,4-diol

Created:	2008-10-30
Last modified:	2011-06-04

Find Related PDB Entry
3 entries where EYK is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-tert-butylbenzene-1,4-diol
Systematic Name (OpenEye OEToolkits)	2-tert-butylbenzene-1,4-diol
Formula	C₁₀ H₁₄ O₂
Molecular Weight	166.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1ccc(O)cc1C(C)(C)C
SMILES	CACTVS	3.341	CC(C)(C)c1cc(O)ccc1O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)c1cc(ccc1O)O
Canonical SMILES	CACTVS	3.341	CC(C)(C)c1cc(O)ccc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)c1cc(ccc1O)O
InChI	InChI	1.03	InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKey	InChI	1.03	BGNXCDMCOKJUMV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07726
Name	t-Butylhydroquinone
Groups	experimental
Synonyms	2-(1,1-Dimethylethyl)-1,4-benzenediol tert-Butylhydroquinone TBHQ 2-tert-Butyl(1,4)hydroquinone 2-tert-Butyl-1,4-benzenediol Mono-tertiarybutylhydroquinone Mono-tert-butylhydroquinone 2-Tertiary-butylhydroquinone 2-t-Butylhydroquinone MTBHQ tert-Butyl-1,4-benzenediol tertiary-Butylhydroquinone 2-t-Butyl-1,4-benzenediol 2-tert-butylhydroquinone t-Butylhydroquinone t-Butyl hydroquinone
Categories	Antioxidants Benzene Derivatives Biological Factors Calcium-Transporting ATPases, antagonists & inhibitors Compounds used in a research, industrial, or household setting Enzyme Inhibitors Phenols Protective Agents
CAS number	1948-33-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hemagglutinin	LVALALSQTAYSQITNGTTGNPIICLGHHAVENGTSVKTLTDNHVEVVSA...	unknown
Hemagglutinin	MKTIIALSYIFCLALGQDLPGNDNSTATLCLGHHAVPNGTLVKTITDDQI...	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