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CHEBI:126267 - 1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:126267
ChEBI Name1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
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DownloadsMolfile
FormulaC27H32ClN3O3
Net Charge0
Average Mass482.024
Monoisotopic Mass481.21322
SMILESCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C27H32ClN3O3/c1-3-24(33)30-12-10-27(11-13-30)17-31(15-18-4-6-19(28)7-5-18)23(16-32)26-25(27)21-9-8-20(34-2)14-22(21)29-26/h4-9,14,23,29,32H,3,10-13,15-17H2,1-2H3/t23-/m0/s1
InChIKeyMUXBQHBIXQTCCD-QHCPKHFHSA-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)
1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:126267) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37833LINCS