EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17037 - (19E)-geissoschizine

Default Structure
ChEBI IDCHEBI:17037
ChEBI Name(19E)-geissoschizine
Stars
ASCII Name(19E)-geissoschizine
DefinitionAn indole alkaloid with formula C21H24N2O3. It is a biosynthetic precursor for a variety of monoterpenoid indole alkaloids.
Secondary ChEBI IDsCHEBI:5282, CHEBI:14292, CHEBI:24201
Last Modified1 July 2022
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12C[C@H](/C(=C/O)C(=O)OC)/C(=C\C)CN1CCc1c2nc2ccccc12
InChIInChI=1S/C21H24N2O3/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/h3-7,12,16,19,22,24H,8-11H2,1-2H3/b13-3-,17-12-/t16-,19-/m0/s1
InChIKeyWKWHYFHGTWZCLM-KGZWXYIYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
(19E)-geissoschizine (CHEBI:17037) has role plant metabolite (CHEBI:76924)
(19E)-geissoschizine (CHEBI:17037) is a enol (CHEBI:33823)
(19E)-geissoschizine (CHEBI:17037) is a indole alkaloid (CHEBI:38958)
(19E)-geissoschizine (CHEBI:17037) is a methyl ester (CHEBI:25248)
(19E)-geissoschizine (CHEBI:17037) is a organic heterotetracyclic compound (CHEBI:38163)
Incoming Relation(s)
4,21-dehydrogeissoschizine (CHEBI:17294) has functional parent (19E)-geissoschizine (CHEBI:17037)
IUPAC Name 
methyl (16Z,19E)-17-hydroxycoryna-16,19-dien-16-carboxylate
Synonyms  Source
(16Z,19E)-17-hydroxy-16-methoxycarbonyl-16,19-didehydro-corynaneChEBI
19E-geissoschizineChEBI
Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16Z,19E)-ChEBI
(+)-geissoschizineChEBI
geissoschizineKEGG COMPOUND
UniProt Name  Source
(19E)-geissoschizineUniProt
Manual XrefsDatabases
C00051968KNApSAcK
C02151KEGG COMPOUND
C02151KEGG COMPOUND
GEISSOSCHIZINEMetaCyc
Registry NumbersSources
CAS:439-66-7ChemIDplus
CAS:439-66-7KEGG COMPOUND
Citations