BNT

2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE

Created:	2005-09-26
Last modified:	2020-05-26

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3 entries where BNT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE
Synonyms	2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE; DBMIB
Systematic Name (OpenEye OEToolkits)	2,5-dibromo-3-methyl-6-propan-2-yl-cyclohexa-2,5-diene-1,4-dione
Formula	C₁₀ H₁₀ Br₂ O₂
Molecular Weight	321.993
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C
SMILES	CACTVS	3.341	CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br
Canonical SMILES	CACTVS	3.341	CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br
InChI	InChI	1.03	InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
InChIKey	InChI	1.03	GHHZELQYJPWSMG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04646
Name	Dibromothymoquinone
Groups	experimental
Description	At low concentrations, this compound inhibits reduction of conventional hydrophilic electron acceptors, probably acting as a plastoquinone antagonist. At higher concentrations, it acts as an electron acceptor, intercepting electrons either before or at the site of its inhibitory activity. [PubChem]
Synonyms	Dibromothymoquinone 2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinone 2,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 2,5-dibromo-3-isopropyl-6-methylbenzoquinone 2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
Categories	Benzoquinones Quinones
CAS number	29096-93-3

Drug Targets

Name	Target Sequence	Pharmacological Action
Apocytochrome f	MRNSCKKARRTRPLKATIQALLVAIATMTFFFTSDIALPQSAAAYPFWAQ...	unknown
Cytochrome b6-f complex subunit 5	MVEPLLDGLVLGLVFATLGGLFYAAYQQYKRPNELGG	unknown
Cytochrome b6-f complex subunit 6	MILGAVFYIVFIALFFGIAVGIIFAIKSIKLI	unknown
Cytochrome b6-f complex subunit 7	MTEEMLYAALLSFGLIFVGWGLGVLLLKIQGAEKE	unknown
Cytochrome b6-f complex subunit 8	MEIDVLGWVALLVVFTWSIAMVVWGRNGL	unknown
Cytochrome b6	MANVYDWFQERLEIQALADDVTSKYVPPHVNIFYCLGGITLTCFLIQFAT...	unknown
Cytochrome b6-f complex iron-sulfur subunit	MAQFTESMDVPDMGRRQFMNLLAFGTVTGVALGALYPLVKYFIPPSGGAV...	unknown
Cytochrome b6-f complex subunit 4	MATLKKPDLSDPKLRAKLAKGMGHNYYGEPAWPNDLLYVFPVVIMGTFAC...	unknown
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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