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CHEBI:129590 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(5-pyrimidinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:129590
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(5-pyrimidinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
Stars
DownloadsMolfile
FormulaC27H36N6O3
Net Charge0
Average Mass492.624
Monoisotopic Mass492.28489
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2cncnc2)CC1
InChIInChI=1S/C27H36N6O3/c1-30(2)15-24(35)33-17-27(7-9-32(10-8-27)14-19-12-28-18-29-13-19)25-21-6-5-20(36-4)11-22(21)31(3)26(25)23(33)16-34/h5-6,11-13,18,23,34H,7-10,14-17H2,1-4H3/t23-/m1/s1
InChIKeyMGUUOJXERVIBLO-HSZRJFAPSA-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(5-pyrimidinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:129590) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41141LINCS