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CHEBI:17294 - 4,21-dehydrogeissoschizine

Default Structure
ChEBI IDCHEBI:17294
ChEBI Name4,21-dehydrogeissoschizine
Stars
DefinitionAn indole alkaloid that is the enol tautomer of geissoschizine, which is also dehydrogenated at the 4,21-position.
Secondary ChEBI IDsCHEBI:1738, CHEBI:11918, CHEBI:20259, CHEBI:58094
Last Modified22 November 2018
DownloadsMolfile
FormulaC21H23N2O3
Net Charge+1
Average Mass351.426
Monoisotopic Mass351.17032
SMILES[H][C@@]12C[C@]([H])(/C(=C/O)C(=O)OC)/C(=C\C)C=[N+]1CCc1c2nc2ccccc12
InChIInChI=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
InChIKeyCUHFIPBCFIPFJM-JXSBNBLESA-O
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4,21-dehydrogeissoschizine (CHEBI:17294) has functional parent (19E)-geissoschizine (CHEBI:17037)
4,21-dehydrogeissoschizine (CHEBI:17294) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
methyl (19E)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate
Synonyms  Source
4,21-DehydrogeissoschizineKEGG COMPOUND
methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oateChEBI
UniProt Name  Source
4,21-dehydrogeissoschizineUniProt
Manual XrefsDatabases
4,21-DehydrogeissoschizineWikipedia
421-DEHYDROGEISSOSCHIZINEMetaCyc
C00051782KNApSAcK
C03677KEGG COMPOUND
Registry NumbersSources
Reaxys:4723273Reaxys
CAS:73385-56-5KEGG COMPOUND
CAS:73385-56-5KNApSAcK
Citations