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CHEBI:17294 - 4,21-dehydrogeissoschizine
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ChEBI Name
4,21-dehydrogeissoschizine
ChEBI ID
CHEBI:17294
Definition
An indole alkaloid that is the enol tautomer of geissoschizine, which is also dehydrogenated at the 4,21-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1738, CHEBI:20259, CHEBI:11918, CHEBI:58094
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Formula
C21H23N2O3
Net Charge
+1
Average Mass
351.41900
Monoisotopic Mass
351.17032
InChI
InChI=1S/C21H22N2O3/c1-
3-
13-
11-
23-
9-
8-
15-
14-
6-
4-
5-
7-
18(14)
22-
20(15)
19(23)
10-
16(13)
17(12-
24)
21(25)
26-
2/h3-
7,11-
12,16,19,22H,8-
10H2,1-
2H3/p+1/b13-
3-
/t16-
,19-
/m0/s1
InChIKey
CUHFIPBCFIPFJM-JXSBNBLESA-O
SMILES
[H][C@@]1(C[C@@]2([H])c3[nH]c4ccccc4c3CC[N+]2=C\C1=C\C)C(=C\O)\C(=O)OC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4,21-dehydrogeissoschizine (
CHEBI:17294
)
has functional parent
(19
E
)-geissoschizine (
CHEBI:17037
)
4,21-dehydrogeissoschizine (
CHEBI:17294
)
is a
indole alkaloid (
CHEBI:38958
)
IUPAC Name
methyl (19
E
)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate
Synonyms
Sources
4,21-dehydrogeissoschizine
UniProt
4,21-Dehydrogeissoschizine
KEGG COMPOUND
methyl (19
E
)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate
ChEBI
Manual Xrefs
Databases
4,21-Dehydrogeissoschizine
Wikipedia
421-DEHYDROGEISSOSCHIZINE
MetaCyc
C00051782
KNApSAcK
C03677
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
4723273
Reaxys Registry Number
Reaxys
73385-56-5
CAS Registry Number
KEGG COMPOUND
73385-56-5
CAS Registry Number
KNApSAcK
Citation
Type
Source
16874388
PubMed citation
Europe PMC
Last Modified
22 November 2018