EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129893 - [(1R)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-[[4-(2-pyridinyl)phenyl]methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:129893
ChEBI Name[(1R)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-[[4-(2-pyridinyl)phenyl]methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC35H37N5O2
Net Charge0
Average Mass559.714
Monoisotopic Mass559.29473
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C35H37N5O2/c1-42-28-9-10-29-31(20-28)38-34-32(23-41)40(22-26-11-16-36-17-12-26)24-35(33(29)34)13-18-39(19-14-35)21-25-5-7-27(8-6-25)30-4-2-3-15-37-30/h2-12,15-17,20,32,38,41H,13-14,18-19,21-24H2,1H3/t32-/m0/s1
InChIKeyRIBPBJMOZQOLJW-YTTGMZPUSA-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)
[(1R)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-[[4-(2-pyridinyl)phenyl]methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:129893) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41444LINCS