EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126328 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126328
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC31H34FN5O3
Net Charge0
Average Mass543.643
Monoisotopic Mass543.26457
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2ccccn2)CC1
InChIInChI=1S/C31H34FN5O3/c1-35-26-17-24(40-2)10-11-25(26)28-29(35)27(19-38)37(30(39)34-22-8-6-21(32)7-9-22)20-31(28)12-15-36(16-13-31)18-23-5-3-4-14-33-23/h3-11,14,17,27,38H,12-13,15-16,18-20H2,1-2H3,(H,34,39)/t27-/m1/s1
InChIKeyYBJTXZWXSHDTAL-HHHXNRCGSA-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)
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126328) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37894LINCS