CHEBI:3533 - cephaeline

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ChEBI Name cephaeline
ChEBI ID CHEBI:3533
Definition A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H38N2O4
Net Charge 0
Average Mass 466.61240
Monoisotopic Mass 466.283
InChI InChI=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
InChIKey DTGZHCFJNDAHEN-OZEXIGSWSA-N
SMILES [H][C@]1(C[C@@]2([H])NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
ChEBI Ontology
Outgoing cephaeline (CHEBI:3533) has parent hydride emetan (CHEBI:36380)
cephaeline (CHEBI:3533) is a pyridoisoquinoline (CHEBI:61692)
Incoming emetine (CHEBI:4781) has functional parent cephaeline (CHEBI:3533)
IUPAC Name
7',10,11-trimethoxyemetan-6'-ol
Synonyms Sources
Cephaelin ChemIDplus
Cephaeline KEGG COMPOUND
Manual Xrefs Databases
C00001835 KNApSAcK
C09390 KEGG COMPOUND
LSM-3808 LINCS
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Registry Numbers Types Sources
100615 Beilstein Registry Number Beilstein
100615 Reaxys Registry Number Reaxys
483-17-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11411558 PubMed citation Europe PMC
11913711 PubMed citation Europe PMC
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20061395 PubMed citation Europe PMC
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Last Modified
25 February 2016