CHEBI:126509 - [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

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ChEBI Name [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
ChEBI ID CHEBI:126509
Stars This entity has been manually annotated by a third party.
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Formula C31H36N4O3
Net Charge 0
Average Mass 512.644
Monoisotopic Mass 512.27874
InChI InChI=1S/C31H36N4O3/c1-37-24-8-5-6-22(16-24)18-35-21-31(11-14-34(15-12-31)19-23-7-3-4-13-32-23)29-26-10-9-25(38-2)17-27(26)33-30(29)28(35)20-36/h3-10,13,16-17,28,33,36H,11-12,14-15,18-21H2,1-2H3/t28-/m1/s1
InChIKey DUCDUSXLFYQTSN-MUUNZHRXSA-N
SMILES COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5=CC=CC=N5)CC6=CC(=CC=C6)OC)CO
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126509) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-38073 LINCS
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