EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124981 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone

ChEBI IDCHEBI:124981
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone
Stars
DownloadsMolfile
FormulaC32H36N4O4
Net Charge0
Average Mass540.664
Monoisotopic Mass540.27366
SMILESCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccncc4)CC3)c3c(nc4cc(OC)ccc34)[C@@H]2CO)cc1
InChIInChI=1S/C32H36N4O4/c1-39-24-5-3-23(4-6-24)19-36-21-32(11-15-35(16-12-32)29(38)17-22-9-13-33-14-10-22)30-26-8-7-25(40-2)18-27(26)34-31(30)28(36)20-37/h3-10,13-14,18,28,34,37H,11-12,15-17,19-21H2,1-2H3/t28-/m0/s1
InChIKeyLPVAXFVUYYVBEP-NDEPHWFRSA-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)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone (CHEBI:124981) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-36441LINCS