EAO

3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione

Created:	2019-12-04
Last modified:	2022-03-01

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1 entries where EAO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
Systematic Name (OpenEye OEToolkits)	3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione
Formula	C₁₂ H₁₁ N O₆
Molecular Weight	265.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C
InChI	InChI	1.03	InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
InChIKey	InChI	1.03	UPMRZALMHVUCIN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB20402
Name	Nitecapone
Groups	experimental
Description	Nitecapone is a small molecule drug. Nitecapone has a monoisotopic molecular weight of 265.06 Da.
Synonyms	Nitecapone
Categories	Anti-Dyskinesia Agents Anti-Parkinson Drugs Anti-Ulcer Agents Antioxidants Benzene Derivatives Biological Factors Central Nervous System Agents Compounds used in a research, industrial, or household setting COMT Inhibitors Enzyme Inhibitors Gastrointestinal Agents Ketones Phenols Protective Agents
CAS number	116313-94-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Catechol O-methyltransferase	MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLL...	unknown	modulator

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