CHEBI:4780 - emetamine

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ChEBI Name emetamine
ChEBI ID CHEBI:4780
Definition A pyridoisoquinoline consisting of emetine having a fully aromatised isoquinoline.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H36N2O4
Net Charge 0
Average Mass 476.60722
Monoisotopic Mass 476.26751
InChI InChI=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
InChIKey MBYXEBXZARTUSS-HMHJJOSWSA-N
SMILES [H][C@]1(Cc2nccc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
ChEBI Ontology
Outgoing 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
Emetamine KEGG COMPOUND
Manual Xrefs Databases
C00001848 KNApSAcK
C09420 KEGG COMPOUND
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Registry Numbers Types Sources
100605 Beilstein Registry Number Beilstein
483-19-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014