EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130148 - [(1S)-2-[(3-chlorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130148
ChEBI Name[(1S)-2-[(3-chlorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC23H26ClN3O2
Net Charge0
Average Mass411.933
Monoisotopic Mass411.17135
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1
InChIInChI=1S/C23H26ClN3O2/c1-26-12-23(13-26)14-27(10-15-4-3-5-16(24)8-15)20(11-28)22-21(23)18-7-6-17(29-2)9-19(18)25-22/h3-9,20,25,28H,10-14H2,1-2H3/t20-/m1/s1
InChIKeyLSSVJSWFNBODOJ-HXUWFJFHSA-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)
[(1S)-2-[(3-chlorophenyl)methyl]-7-methoxy-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130148) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41698LINCS