DNT

2-[1-METHYLHEXYL]-4,6-DINITROPHENOL

Created:	2003-02-10
Last modified:	2011-06-04

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1 entries where DNT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
Systematic Name (OpenEye OEToolkits)	2-heptan-2-yl-4,6-dinitro-phenol
Formula	C₁₃ H₁₈ N₂ O₅
Molecular Weight	282.292
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1cc(cc(c1O)C(CCCCC)C)[N+]([O-])=O
SMILES	CACTVS	3.341	CCCCC[CH](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	CCCCC[C@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3
InChIKey	InChI	1.03	RROCMCBQTUYDSD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07671
Name	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
Groups	experimental
Synonyms	2-[1-METHYLHEXYL]-4,6-DINITROPHENOL

Drug Targets

Name	Target Sequence	Pharmacological Action
Succinate dehydrogenase flavoprotein subunit	MKLPVREFDAVVIGAGGAGMRAALQISQSGQTCALLSKVFPTRSHTVSAQ...	unknown
Succinate dehydrogenase iron-sulfur subunit	MRLEFSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLS...	unknown
Succinate dehydrogenase cytochrome b556 subunit	MIRNVKKQRPVNLDLQTIRFPITAIASILHRVSGVITFVAVGILLWLLGT...	unknown
Succinate dehydrogenase hydrophobic membrane anchor subunit	MVSNASALGRNGVHDFILVRATAIVLTLYIIYMVGFFATSGELTYEVWIG...	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