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CHEBI:9385 - Tabernamine

ChEBI IDCHEBI:9385
ChEBI NameTabernamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H48N4O2
Net Charge0
Average Mass616.850
Monoisotopic Mass616.37773
SMILES[H][C@]1(c2ccc3c4c(nc3c2)[C@]2([H])C[C@@H]3C[C@H](CC)[C@]2([H])[N@@](CC4)C3)C[C@H]2/C(=C\C)CN(C)[C@H](Cc3c1nc1ccccc31)C2C(=O)OC
InChIInChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23-,29?,30+,32-,35+,36?,39-/m0/s1
InChIKeyMTARGWPMLJBYNG-GMVPLMGASA-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)
Tabernamine (CHEBI:9385) is a alkaloid (CHEBI:22315)
Synonym  Source
TabernamineKEGG COMPOUND
Manual XrefsDatabases
C00001771KNApSAcK
C09242KEGG COMPOUND
Registry NumbersSources
CAS:59626-92-5KEGG COMPOUND