EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130101 - 1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

ChEBI IDCHEBI:130101
ChEBI Name1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
Stars
DownloadsMolfile
FormulaC27H28N2O3
Net Charge0
Average Mass428.532
Monoisotopic Mass428.20999
SMILESCOc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@@H](CO)N3)c1
InChIInChI=1S/C27H28N2O3/c1-32-21-9-5-8-19(15-21)20-10-11-24-23(16-20)27-22(25(17-30)28-24)12-13-29(27)26(31)14-18-6-3-2-4-7-18/h2-11,15-16,22,25,27-28,30H,12-14,17H2,1H3/t22-,25-,27-/m1/s1
InChIKeyRDRBRKCLJGPFFZ-AVPJRLCVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone (CHEBI:130101) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-41651LINCS