EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129792 - (1S)-2-(cyclopropylmethyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:129792
ChEBI Name(1S)-2-(cyclopropylmethyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC28H33FN4O3
Net Charge0
Average Mass492.595
Monoisotopic Mass492.25367
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C28H33FN4O3/c1-36-21-7-8-22-23(14-21)31-26-24(16-34)33(15-18-5-6-18)17-28(25(22)26)9-11-32(12-10-28)27(35)30-20-4-2-3-19(29)13-20/h2-4,7-8,13-14,18,24,31,34H,5-6,9-12,15-17H2,1H3,(H,30,35)/t24-/m1/s1
InChIKeyQYNZWUQEWSOVAR-XMMPIXPASA-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)-2-(cyclopropylmethyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:129792) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41343LINCS