EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125942 - [(1S)-2-[(4-fluorophenyl)methyl]-7-methoxy-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:125942
ChEBI Name[(1S)-2-[(4-fluorophenyl)methyl]-7-methoxy-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC28H29FN4O2
Net Charge0
Average Mass472.564
Monoisotopic Mass472.22745
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(Cc2ccccn2)C1
InChIInChI=1S/C28H29FN4O2/c1-35-22-9-10-23-24(12-22)31-27-25(15-34)33(13-19-5-7-20(29)8-6-19)18-28(26(23)27)16-32(17-28)14-21-4-2-3-11-30-21/h2-12,25,31,34H,13-18H2,1H3/t25-/m1/s1
InChIKeyJXCOUSRHXUUARO-RUZDIDTESA-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-[(4-fluorophenyl)methyl]-7-methoxy-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:125942) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37509LINCS