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CHEBI:4780 - emetamine

ChEBI IDCHEBI:4780
ChEBI Nameemetamine
Stars
DefinitionA pyridoisoquinoline consisting of emetine having a fully aromatised isoquinoline.
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H36N2O4
Net Charge0
Average Mass476.617
Monoisotopic Mass476.26751
SMILES[H][C@]1(Cc2nccc3cc(OC)c(OC)cc23)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC
InChIInChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1
InChIKeyMBYXEBXZARTUSS-HMHJJOSWSA-N
ChEBI Ontology
Outgoing Relation(s)
emetamine (CHEBI:4780) has functional parent emetine (CHEBI:4781)
emetamine (CHEBI:4780) is a pyridoisoquinoline (CHEBI:61692)
IUPAC Name 
6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan
Synonym  Source
EmetamineKEGG COMPOUND
Manual XrefsDatabases
C09420KEGG COMPOUND
C00001848KNApSAcK
Registry NumbersSources
Beilstein:100605Beilstein
CAS:483-19-2KEGG COMPOUND