BHQ

2,5-DITERT-BUTYLBENZENE-1,4-DIOL

Created:	2005-07-29
Last modified:	2021-03-13

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1 entries where BHQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

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Chemical Component Summary
Name	2,5-DITERT-BUTYLBENZENE-1,4-DIOL
Synonyms	2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
Systematic Name (OpenEye OEToolkits)	2,5-ditert-butylbenzene-1,4-diol
Formula	C₁₄ H₂₂ O₂
Molecular Weight	222.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
SMILES	CACTVS	3.341	CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O
Canonical SMILES	CACTVS	3.341	CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O
InChI	InChI	1.03	InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey	InChI	1.03	JZODKRWQWUWGCD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04638
Name	2,5-di-tert-butylhydroquinone
Groups	experimental
Synonyms	2,5-di-tert-butylhydroquinone 2,5-di-tert-butylbenzene-1,4-diol
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	88-58-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	MEAAHAKTTEECLAYFGVSETTGLTPDQVKRNLEKYGLNELPAEEGKTLW...	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