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CHEBI:77321 - 1,8-dihydroxy-4-nitroxanthen-9-one

ChEBI IDCHEBI:77321
ChEBI Name1,8-dihydroxy-4-nitroxanthen-9-one
Stars
DefinitionA member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups.
Secondary ChEBI IDCHEBI:43970
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H7NO6
Net Charge0
Average Mass273.200
Monoisotopic Mass273.02734
SMILESO=c1c2c(O)cccc2oc2c([N+](=O)[O-])ccc(O)c12
InChIInChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H
InChIKeyZOHCDJRFYXKEQW-UHFFFAOYSA-N
Roles Classification
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
1,8-dihydroxy-4-nitroxanthen-9-one (CHEBI:77321) has role protein kinase inhibitor (CHEBI:37699)
1,8-dihydroxy-4-nitroxanthen-9-one (CHEBI:77321) is a C-nitro compound (CHEBI:35716)
1,8-dihydroxy-4-nitroxanthen-9-one (CHEBI:77321) is a polyphenol (CHEBI:26195)
1,8-dihydroxy-4-nitroxanthen-9-one (CHEBI:77321) is a xanthones (CHEBI:51149)
IUPAC Name 
1,8-dihydroxy-4-nitro-9H-xanthen-9-one
Synonym  Source
MNXChEBI
Manual XrefsDatabases
MNXPDBeChem
DB02170DrugBank
Registry NumbersSources
Reaxys:24145840Reaxys
Citations