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CHEBI:3287 - Cabucine

ChEBI IDCHEBI:3287
ChEBI NameCabucine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILES[H][C@@]12C[C@]3([H])C(C(=O)OC)=CO[C@@H](C)[C@@]3([H])CN1CCc1c2nc2ccc(OC)cc12
InChIInChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17+,20-/m0/s1
InChIKeyDTDADHMBRZKXSC-IEGSVRCHSA-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)
Cabucine (CHEBI:3287) is a yohimban alkaloid (CHEBI:27358)
Synonym  Source
CabucineKEGG COMPOUND
Manual XrefsDatabases
C10904KEGG COMPOUND
C00001696KNApSAcK
Registry NumbersSources
CAS:16812-97-8KEGG COMPOUND