EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:234539 - speciogynine

ChEBI IDCHEBI:234539
ChEBI Namespeciogynine
Stars
DefinitionA monoterpenoid indole alkaloid with formula C23H30N2O4. It is isolated from the plants Mitragyna speciosa and Mitragyna inermis.
Last Modified1 July 2025
SubmitterAdnan
DownloadsMolfile
FormulaC23H30N2O4
Net Charge0
Average Mass398.503
Monoisotopic Mass398.22056
SMILES[H][C@@]12C[C@H](/C(=C\OC)C(=O)OC)[C@@H](CC)CN1CCc1c2nc2cccc(OC)c12
InChIInChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1
InChIKeyLELBFTMXCIIKKX-CYSPOEIOSA-N
Species of MetaboliteComponentSourceComments
Mitragyna inermis (ncbitaxon:170023) Leaf (PO:0025034) PubMed (4397465)
Mitragyna speciosa (ncbitaxon:170351) - PubMed (34867362)
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.
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
speciogynine (CHEBI:234539) has role anticonvulsant (CHEBI:35623)
speciogynine (CHEBI:234539) has role plant metabolite (CHEBI:76924)
speciogynine (CHEBI:234539) is a enol ether (CHEBI:47985)
speciogynine (CHEBI:234539) is a methyl ester (CHEBI:25248)
speciogynine (CHEBI:234539) is a monoterpenoid indole alkaloid (CHEBI:65323)
speciogynine (CHEBI:234539) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
methyl (16E)-9-methoxy-16-(methoxymethylidene)corynan-17-oate
Synonyms  Source
(+)-speciogynineChEBI
(αE,2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-indolo[2,3-a]quinolizine-2-acetic acid methyl esterChEBI
Manual XrefsDatabases
C00025211KNApSAcK
Registry NumbersSources
CAS:4697-67-0KNApSAcK
Citations