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CHEBI:3533 - cephaeline

ChEBI IDCHEBI:3533
ChEBI Namecephaeline
Stars
DefinitionA pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.
Last Modified25 February 2016
DownloadsMolfile
FormulaC28H38N2O4
Net Charge0
Average Mass466.622
Monoisotopic Mass466.28316
SMILES[H][C@]1(C[C@@]2([H])NCCc3cc(O)c(OC)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC
InChIInChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
InChIKeyDTGZHCFJNDAHEN-OZEXIGSWSA-N
ChEBI Ontology
Outgoing Relation(s)
cephaeline (CHEBI:3533) has parent hydride emetan (CHEBI:36380)
cephaeline (CHEBI:3533) is a pyridoisoquinoline (CHEBI:61692)
cephaeline (CHEBI:3533) is conjugate base of cephaeline(2+) (CHEBI:231587)
Incoming Relation(s)
emetine (CHEBI:4781) has functional parent cephaeline (CHEBI:3533)
cephaeline(2+) (CHEBI:231587) is conjugate acid of cephaeline (CHEBI:3533)
IUPAC Name 
7',10,11-trimethoxyemetan-6'-ol
Synonyms  Source
CephaelineKEGG COMPOUND
CephaelinChemIDplus
Manual XrefsDatabases
C09390KEGG COMPOUND
C00001835KNApSAcK
LSM-3808LINCS
Registry NumbersSources
Reaxys:100615Reaxys
CAS:483-17-0KEGG COMPOUND
CAS:483-17-0ChemIDplus
Citations