Chemical Component Summary

Name6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one
Identifiers6-methoxy-9-methyl-[1,3]dioxolo[4,5-h]quinolin-8-one
FormulaC12 H11 N O4
Molecular Weight233.22
TypeNON-POLYMER
Isomeric SMILESCN1c2c(ccc3c2OCO3)C(=CC1=O)OC
InChIInChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
InChIKeyDPXXJCMMMXZVSW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB08744 
NameCasimiroin
Groups experimental
DescriptionCasimiroin is a quinone reductase 2 inhibitor isolated from _Casimiroa edulis_.
Synonyms
  • 6-Methoxy-9-methyl-(1,3)dioxolo(4,5-h)quinolin-8(9H)-one
  • Casimiroin
Categories
  • Aromatase
  • Dioxoles
  • Heterocyclic Compounds, Fused-Ring
  • Quinolines
  • Quinone Reductases, antagonists & inhibitors
CAS number477-89-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Ribosyldihydronicotinamide dehydrogenase [quinone]MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPR...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 124075
ChEMBL CHEMBL492762
ChEBI CHEBI:3452