EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43645 - indirubin-3'-monoxime

Default Structure
ChEBI IDCHEBI:43645
ChEBI Nameindirubin-3'-monoxime
Stars
DefinitionA member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.
Last Modified30 November 2015
DownloadsMolfile
FormulaC16H11N3O2
Net Charge0
Average Mass277.283
Monoisotopic Mass277.08513
SMILESO=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O
InChIInChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+
InChIKeyHBDSHCUSXQATPO-BGBJRWHRSA-N
Roles Classification
Biological Roles:
osteogenesis regulator  Any compound that induces or regulates osteogenesis.
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
anti-obesity agent  Any substance which is used to reduce or control weight.
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
indirubin-3'-monoxime (CHEBI:43645) has role anti-obesity agent (CHEBI:74518)
indirubin-3'-monoxime (CHEBI:43645) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
indirubin-3'-monoxime (CHEBI:43645) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
indirubin-3'-monoxime (CHEBI:43645) has role neuroprotective agent (CHEBI:63726)
indirubin-3'-monoxime (CHEBI:43645) has role osteogenesis regulator (CHEBI:63054)
indirubin-3'-monoxime (CHEBI:43645) is a alkaloid (CHEBI:22315)
indirubin-3'-monoxime (CHEBI:43645) is a bisindole (CHEBI:51877)
indirubin-3'-monoxime (CHEBI:43645) is a ketoxime (CHEBI:24983)
indirubin-3'-monoxime (CHEBI:43645) is a oxindoles (CHEBI:38459)
indirubin-3'-monoxime (CHEBI:43645) is a ring assembly (CHEBI:36820)
IUPAC Name 
(3Z)-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one
Synonyms  Source
1H,1'H-[2,3']biindolylidene3,2'-dione-3-oximeChEBI
indirubin-3'-oximeChEBI
Manual XrefsDatabases
DB02052DrugBank
IXMPDBeChem
Registry NumbersSources
Reaxys:7594308Reaxys
Citations