TNF

PICRIC ACID

Created:	2002-02-27
Last modified:	2021-03-13

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10 entries where TNF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

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Chemical Component Summary
Name	PICRIC ACID
Synonyms	2,4,6-TRINITROPHENOL
Systematic Name (OpenEye OEToolkits)	2,4,6-trinitrophenol
Formula	C₆ H₃ N₃ O₇
Molecular Weight	229.104
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O
SMILES	CACTVS	3.341	Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
InChIKey	InChI	1.03	OXNIZHLAWKMVMX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03651
Name	Picric acid
Groups	experimental
Description	Used as antiseptic, astringent, and stimulant for epitheliazation.
Synonyms	Trinitrophenol Picricum acidum Picric acid
Brand Names	Nitrotan San Su
Categories	Benzene Derivatives Compounds used in a research, industrial, or household setting Enzyme Inhibitors Indicators and Reagents Laboratory Chemicals Nitro Compounds Nitrophenols Phenols Uncoupling Agents
CAS number	88-89-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pentaerythritol tetranitrate reductase	MSAEKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA...	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