EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130063 - 1-[(1R)-2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:130063
ChEBI Name1-[(1R)-2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
Stars
DownloadsMolfile
FormulaC26H31N3O5S
Net Charge0
Average Mass497.617
Monoisotopic Mass497.19844
SMILESCCC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H31N3O5S/c1-3-23(31)28-13-11-26(12-14-28)17-29(35(32,33)19-7-5-4-6-8-19)22(16-30)25-24(26)20-10-9-18(34-2)15-21(20)27-25/h4-10,15,22,27,30H,3,11-14,16-17H2,1-2H3/t22-/m0/s1
InChIKeyHARLTPKAQNPILR-QFIPXVFZSA-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)-2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:130063) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41614LINCS