EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100223 - (2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:100223
ChEBI Name(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
Stars
DownloadsMolfile
FormulaC30H37N3O3
Net Charge0
Average Mass487.644
Monoisotopic Mass487.28349
SMILESO=C([C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C30H37N3O3/c34-19-25-24-18-33-26(12-11-23(29(33)35)22-9-5-2-6-10-22)27(24)31-28(25)30(36)32-15-13-21(14-16-32)17-20-7-3-1-4-8-20/h1,3-4,7-9,11-12,21,24-25,27-28,31,34H,2,5-6,10,13-19H2/t24-,25-,27+,28-/m0/s1
InChIKeyFDPYZAHJFSZBPH-KWNVVKLJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one (CHEBI:100223) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-11600LINCS