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> Main
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.
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Molfile
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Molfile
Formula
C28H38N2O4
Net Charge
0
Average Mass
466.61240
Monoisotopic Mass
466.28316
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
)
cephaeline (
CHEBI:3533
)
is conjugate base of
cephaeline(2+) (
CHEBI:231587
)
Incoming
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
Sources
Cephaelin
ChemIDplus
Cephaeline
KEGG COMPOUND
Manual Xrefs
Databases
C00001835
KNApSAcK
C09390
KEGG COMPOUND
LSM-3808
LINCS
View more database links
Registry Numbers
Types
Sources
100615
Reaxys Registry Number
Reaxys
483-17-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11411558
PubMed citation
Europe PMC
11913711
PubMed citation
Europe PMC
11996324
PubMed citation
Europe PMC
12880315
PubMed citation
Europe PMC
13437707
PubMed citation
Europe PMC
18327911
PubMed citation
Europe PMC
20061395
PubMed citation
Europe PMC
20495341
PubMed citation
Europe PMC
21228475
PubMed citation
Europe PMC
2715231
PubMed citation
Europe PMC
6716976
PubMed citation
Europe PMC
Last Modified
25 February 2016