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CHEBI:125735 - [(1S)-7-methoxy-2-(phenylmethyl)-1'-(5-pyrimidinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:125735
ChEBI Name[(1S)-7-methoxy-2-(phenylmethyl)-1'-(5-pyrimidinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC29H33N5O2
Net Charge0
Average Mass483.616
Monoisotopic Mass483.26343
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(Cc2cncnc2)CC1
InChIInChI=1S/C29H33N5O2/c1-36-23-7-8-24-25(13-23)32-28-26(18-35)34(17-21-5-3-2-4-6-21)19-29(27(24)28)9-11-33(12-10-29)16-22-14-30-20-31-15-22/h2-8,13-15,20,26,32,35H,9-12,16-19H2,1H3/t26-/m1/s1
InChIKeyNTHKEABDFWNRMX-AREMUKBSSA-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)-7-methoxy-2-(phenylmethyl)-1'-(5-pyrimidinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:125735) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37304LINCS