CHEBI:131084 - (1S)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI Name (1S)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:131084
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H40N4O3
Net Charge 0
Average Mass 468.633
Monoisotopic Mass 468.31004
InChI InChI=1S/C27H40N4O3/c1-4-12-28-26(33)31-18-27(16-30(17-27)14-19-8-6-5-7-9-19)24-21-11-10-20(34-3)13-22(21)29(2)25(24)23(31)15-32/h10-11,13,19,23,32H,4-9,12,14-18H2,1-3H3,(H,28,33)/t23-/m1/s1
InChIKey RGJGMODALZOVRK-HSZRJFAPSA-N
SMILES CCCNC(=O)N1CC2(CN(C2)CC3CCCCC3)C4=C([C@H]1CO)N(C5=C4C=CC(=C5)OC)C
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)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:131084) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-42632 LINCS
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