LI6

3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE

Created:2005-03-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count11
2D diagram of LI6

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Chemical Component Summary

Name3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)3,4-dihydroxy-1-methyl-quinolin-2-one
FormulaC10 H9 N O3
Molecular Weight191.183
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(O)=C(O)c1c(cccc1)N2C
SMILESCACTVS3.341CN1C(=O)C(=C(O)c2ccccc12)O
SMILESOpenEye OEToolkits1.5.0CN1c2ccccc2C(=C(C1=O)O)O
Canonical SMILESCACTVS3.341 CN1C(=O)C(=C(O)c2ccccc12)O
Canonical SMILESOpenEye OEToolkits1.5.0 CN1c2ccccc2C(=C(C1=O)O)O
InChIInChI1.03 InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
InChIKeyInChI1.03 BDLJEQMXDNMETQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01754 
Name3,4-Dihydroxy-1-Methylquinolin-2(1h)-One
Groups experimental
Synonyms3,4-Dihydroxy-1-Methylquinolin-2(1h)-One

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Serine/threonine-protein kinase pim-1MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFG...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 54695768