CHEBI:127516 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
ChEBI ID CHEBI:127516
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32N4O3
Net Charge 0
Average Mass 400.515
Monoisotopic Mass 400.24744
InChI InChI=1S/C22H32N4O3/c1-24(2)12-19(28)26-9-7-22(8-10-26)14-25(3)18(13-27)21-20(22)16-6-5-15(29-4)11-17(16)23-21/h5-6,11,18,23,27H,7-10,12-14H2,1-4H3/t18-/m0/s1
InChIKey JDLNVBUVHOBJMI-SFHVURJKSA-N
SMILES CN1CC2(CCN(CC2)C(=O)CN(C)C)C3=C([C@@H]1CO)NC4=C3C=CC(=C4)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:127516) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-39074 LINCS
View more database links