CHEBI:128538 - 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
ChEBI ID CHEBI:128538
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32N4O3
Net Charge 0
Average Mass 460.569
Monoisotopic Mass 460.24744
InChI InChI=1S/C27H32N4O3/c1-29-22-12-20(34-2)5-6-21(22)25-26(29)23(14-32)31(24(33)11-18-3-4-18)17-27(25)15-30(16-27)13-19-7-9-28-10-8-19/h5-10,12,18,23,32H,3-4,11,13-17H2,1-2H3/t23-/m1/s1
InChIKey BUWFSNNSDIMSNN-HSZRJFAPSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)CC5=CC=NC=C5)C(=O)CC6CC6)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:128538) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-40092 LINCS
View more database links