CHEBI:126796 - [(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone

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ChEBI Name [(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone
ChEBI ID CHEBI:126796
Stars This entity has been manually annotated by a third party.
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Formula C28H34N4O3
Net Charge 0
Average Mass 474.596
Monoisotopic Mass 474.26309
InChI InChI=1S/C28H34N4O3/c1-30-23-15-21(35-2)5-6-22(23)25-26(30)24(17-33)32(27(34)20-7-11-29-12-8-20)18-28(25)9-13-31(14-10-28)16-19-3-4-19/h5-8,11-12,15,19,24,33H,3-4,9-10,13-14,16-18H2,1-2H3/t24-/m0/s1
InChIKey MGDQFVBQSWCYMZ-DEOSSOPVSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5CC5)C(=O)C6=CC=NC=C6)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 )
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ChEBI Ontology
Outgoing [(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone (CHEBI:126796) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-38359 LINCS
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