CHEBI:127863 - [(1S)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(1S)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
ChEBI ID CHEBI:127863
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H35N3O2
Net Charge 0
Average Mass 397.555
Monoisotopic Mass 397.27293
InChI InChI=1S/C24H35N3O2/c1-26-21-13-18(29-2)7-8-19(21)22-23(26)20(15-28)25-16-24(22)9-11-27(12-10-24)14-17-5-3-4-6-17/h7-8,13,17,20,25,28H,3-6,9-12,14-16H2,1-2H3/t20-/m1/s1
InChIKey RMHFYAWCYAVNOG-HXUWFJFHSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](NCC34CCN(CC4)CC5CCCC5)CO
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 [(1S)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:127863) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-39419 LINCS
View more database links