CHEBI:132696 - α-colubrine

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ChEBI Name α-colubrine
ChEBI ID CHEBI:132696
ChEBI ASCII Name alpha-colubrine
Definition A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 3 has been replaced by a methoxy group.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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C22H24N2O3
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.17869
InChI InChI=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
InChIKey CAPUGADOGHKUQS-JPPAUQSISA-N
SMILES C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H]
Roles Classification
Biological Role(s): 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.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 α-colubrine(1+) (CHEBI:231864) is conjugate acid of α-colubrine (CHEBI:132696)
IUPAC Name
3-methoxystrychnidin-10-one
Synonym Source
3-methoxystrychnine ChemIDplus
Manual Xref Database
C00025153 KNApSAcK
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Registry Numbers Types Sources
509-44-4 CAS Registry Number ChemIDplus
57558 Reaxys Registry Number Reaxys
Last Modified
16 August 2016