CHEBI:125754 - 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone

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ChEBI Name 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone
ChEBI ID CHEBI:125754
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H42N4O4
Net Charge 0
Average Mass 510.669
Monoisotopic Mass 510.32061
InChI InChI=1S/C29H42N4O4/c1-36-22-6-7-23-24(16-22)30-28-25(19-34)33(26(35)18-32-12-14-37-15-13-32)20-29(27(23)28)8-10-31(11-9-29)17-21-4-2-3-5-21/h6-7,16,21,25,30,34H,2-5,8-15,17-20H2,1H3/t25-/m1/s1
InChIKey NEXKXEQOOLRNQD-RUZDIDTESA-N
SMILES COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5CCCC5)C(=O)CN6CCOCC6)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 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:125754) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-37323 LINCS
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