EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:130141 - 2-cyclopropyl-1-[(1R)-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 IDCHEBI:130141
ChEBI Name2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
Stars
DownloadsMolfile
FormulaC27H32N4O3
Net Charge0
Average Mass460.578
Monoisotopic Mass460.24744
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1
InChIInChI=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-/m0/s1
InChIKeyBUWFSNNSDIMSNN-QHCPKHFHSA-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)
2-cyclopropyl-1-[(1R)-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:130141) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41691LINCS