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CHEBI:126148 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

ChEBI IDCHEBI:126148
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
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DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESCCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H31N3O4/c1-4-23(31)29-15-26(16-29)14-28(12-17-6-5-7-18(10-17)32-2)22(13-30)25-24(26)20-9-8-19(33-3)11-21(20)27-25/h5-11,22,27,30H,4,12-16H2,1-3H3/t22-/m1/s1
InChIKeyMHGHPTUGNNKJHC-JOCHJYFZSA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone (CHEBI:126148) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37715LINCS