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CHEBI:2821 - Aricine

Default Structure
ChEBI IDCHEBI:2821
ChEBI NameAricine
Stars
Last Modified9 March 2018
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-GKASHWOUSA-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)
Aricine (CHEBI:2821) is a methyl ester (CHEBI:25248)
Aricine (CHEBI:2821) is a yohimban alkaloid (CHEBI:27358)
Synonym  Source
AricineKEGG COMPOUND
Manual XrefsDatabases
C00001690KNApSAcK
C09037KEGG COMPOUND
Registry NumbersSources
CAS:482-91-7KEGG COMPOUND