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CHEBI:9386 - Tabernanthine

ChEBI IDCHEBI:9386
ChEBI NameTabernanthine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H26N2O
Net Charge0
Average Mass310.441
Monoisotopic Mass310.20451
SMILES[H][C@@]12C[C@@H]3C[C@H](CC)[C@]1([H])[N@@](CCc1c2nc2cc(OC)ccc12)C3
InChIInChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
InChIKeyUCIDWKVIQZIKEK-NXWOVTFFSA-N
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)
Tabernanthine (CHEBI:9386) is a alkaloid (CHEBI:22315)
Synonym  Source
TabernanthineKEGG COMPOUND
Manual XrefsDatabases
C00001772KNApSAcK
C09274KEGG COMPOUND
Registry NumbersSources
CAS:83-94-3KEGG COMPOUND