EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128945 - [(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methyl-1'-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:128945
ChEBI Name[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methyl-1'-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC29H39N3O3
Net Charge0
Average Mass477.649
Monoisotopic Mass477.29914
SMILESCCCN1CCC2(CC1)CN(Cc1ccccc1OC)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C29H39N3O3/c1-5-14-31-15-12-29(13-16-31)20-32(18-21-8-6-7-9-26(21)35-4)25(19-33)28-27(29)23-11-10-22(34-3)17-24(23)30(28)2/h6-11,17,25,33H,5,12-16,18-20H2,1-4H3/t25-/m1/s1
InChIKeyYIJJGZNGYKDFDN-RUZDIDTESA-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)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methyl-1'-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:128945) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40497LINCS