EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:129765 - 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-cyclopropylethanone

ChEBI IDCHEBI:129765
ChEBI Name1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-cyclopropylethanone
Stars
DownloadsMolfile
FormulaC23H26N2O2
Net Charge0
Average Mass362.473
Monoisotopic Mass362.19943
SMILESO=C(CC1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21
InChIInChI=1S/C23H26N2O2/c26-14-21-18-10-11-25(22(27)12-15-6-7-15)23(18)19-13-17(8-9-20(19)24-21)16-4-2-1-3-5-16/h1-5,8-9,13,15,18,21,23-24,26H,6-7,10-12,14H2/t18-,21+,23-/m1/s1
InChIKeyMBJPQUOUDOTXDS-RZFNWQHOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-cyclopropylethanone (CHEBI:129765) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-41316LINCS