EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:127215 - (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127215
ChEBI Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC32H33FN4O4
Net Charge0
Average Mass556.638
Monoisotopic Mass556.24858
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C32H33FN4O4/c1-41-22-11-12-23-26(18-22)34-30-27(19-38)37(28(39)17-21-7-3-2-4-8-21)20-32(29(23)30)13-15-36(16-14-32)31(40)35-25-10-6-5-9-24(25)33/h2-12,18,27,34,38H,13-17,19-20H2,1H3,(H,35,40)/t27-/m0/s1
InChIKeyUMKWVNJRYUYNAG-MHZLTWQESA-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)
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127215) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38775LINCS