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CHEBI:125841 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyrazinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

ChEBI IDCHEBI:125841
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyrazinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
Stars
DownloadsMolfile
FormulaC24H27N5O4
Net Charge0
Average Mass449.511
Monoisotopic Mass449.20630
SMILESCCC(=O)N1CC2(C1)CN(C(=O)c1cnccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C24H27N5O4/c1-4-20(31)28-12-24(13-28)14-29(23(32)17-10-25-7-8-26-17)19(11-30)22-21(24)16-6-5-15(33-3)9-18(16)27(22)2/h5-10,19,30H,4,11-14H2,1-3H3/t19-/m0/s1
InChIKeyNYNBMTQGVWKTND-IBGZPJMESA-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)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyrazinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone (CHEBI:125841) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37408LINCS