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CHEBI:128389 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:128389
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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FormulaC23H28N4O3S
Net Charge0
Average Mass440.569
Monoisotopic Mass440.18821
SMILESCCCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C23H28N4O3S/c1-3-4-20(29)27-14-23(12-26(13-23)10-19-24-7-8-31-19)21-16-6-5-15(30-2)9-17(16)25-22(21)18(27)11-28/h5-9,18,25,28H,3-4,10-14H2,1-2H3/t18-/m1/s1
InChIKeyRHAHIDRIPBSPCL-GOSISDBHSA-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-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:128389) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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