Chemical Component Summary

Name6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Identifiers6-(3-methyl-1,4-dioxo-naphthalen-2-yl)hexanoic acid
FormulaC17 H18 O4
Molecular Weight286.322
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O
InChIInChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
InChIKeyICGRXHWXPCXIKM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count40
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07714 
Name6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Groups experimental
Synonyms6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutathione reductase, mitochondrialMALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEP...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

Related Resource References

Resource NameReference
PubChem 10708341
ChEMBL CHEMBL135287