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CHEBI:132696 - α-colubrine

ChEBI IDCHEBI:132696
ChEBI Nameα-colubrine
Stars
ASCII Namealpha-colubrine
DefinitionA monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 3 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica.
Last Modified16 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC22H24N2O3
Net Charge0
Average Mass364.445
Monoisotopic Mass364.17869
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1ccc(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H]
InChIInChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1
InChIKeyCAPUGADOGHKUQS-JPPAUQSISA-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)
α-colubrine (CHEBI:132696) has functional parent strychnine (CHEBI:28973)
α-colubrine (CHEBI:132696) has role plant metabolite (CHEBI:76924)
α-colubrine (CHEBI:132696) is a aromatic ether (CHEBI:35618)
α-colubrine (CHEBI:132696) is a monoterpenoid indole alkaloid (CHEBI:65323)
α-colubrine (CHEBI:132696) is a organic heteroheptacyclic compound (CHEBI:52157)
α-colubrine (CHEBI:132696) is conjugate base of α-colubrine(1+) (CHEBI:231864)
Incoming Relation(s)
α-colubrine(1+) (CHEBI:231864) is conjugate acid of α-colubrine (CHEBI:132696)
IUPAC Name 
3-methoxystrychnidin-10-one
Synonym  Source
3-methoxystrychnineChemIDplus
Manual XrefsDatabases
C00025153KNApSAcK
Registry NumbersSources
Reaxys:57558Reaxys
CAS:509-44-4ChemIDplus