CHEBI:130120 - [(1S)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

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ChEBI Name [(1S)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
ChEBI ID CHEBI:130120
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H36ClN3O2
Net Charge 0
Average Mass 494.069
Monoisotopic Mass 493.24961
InChI InChI=1S/C29H36ClN3O2/c1-31-25-15-23(35-2)9-10-24(25)27-28(31)26(18-34)33(17-21-5-7-22(30)8-6-21)19-29(27)11-13-32(14-12-29)16-20-3-4-20/h5-10,15,20,26,34H,3-4,11-14,16-19H2,1-2H3/t26-/m1/s1
InChIKey ZDPJGKQIQRRUQL-AREMUKBSSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5CC5)CC6=CC=C(C=C6)Cl)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 [(1S)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130120) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-41670 LINCS
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