CHEBI:125999 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name [(3aS,4S,9bS)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone ChEBI ID CHEBI:125999 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H32N2O3 Net Charge 0 Average Mass 420.545 Monoisotopic Mass 420.24129 InChI InChI=1S/C26H32N2O3/c1-31-24-10-6-5-9-19(24)18-11-12-22-21(15-18)25-20(23(16-29)27-22)13-14-28(25)26(30)17-7-3-2-4-8-17/h5-6,9-12,15,17,20,23,25,27,29H,2-4,7-8,13-14,16H2,1H3/t20-,23+,25-/m0/s1 InChIKey CYCCLRLTJGJAOG-ZWSUVBHBSA-N SMILES COC1=CC=CC=C1C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@@H]3N(CC4)C(=O)C5CCCCC5)CO ChEBI Ontology Outgoing [(3aS,4S,9bS)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone (CHEBI:125999) is a quinolines (CHEBI:26513) Manual Xref Database LSM-37566 LINCS View more database links