CHEBI:128222 - (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
ChEBI ID CHEBI:128222
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H33N5O5
Net Charge 0
Average Mass 495.572
Monoisotopic Mass 495.24817
InChI InChI=1S/C26H33N5O5/c1-5-21(33)31-14-26(8-10-30(11-9-26)25(34)28-23-15(2)29-36-16(23)3)22-18-7-6-17(35-4)12-19(18)27-24(22)20(31)13-32/h6-7,12,20,27,32H,5,8-11,13-14H2,1-4H3,(H,28,34)/t20-/m1/s1
InChIKey VMAIHIRLRJTNCQ-HXUWFJFHSA-N
SMILES CCC(=O)N1CC2(CCN(CC2)C(=O)NC3=C(ON=C3C)C)C4=C([C@H]1CO)NC5=C4C=CC(=C5)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 (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128222) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-39777 LINCS
View more database links