EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125187 - [(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-(1-piperidinyl)methanone

ChEBI IDCHEBI:125187
ChEBI Name[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-(1-piperidinyl)methanone
Stars
DownloadsMolfile
FormulaC27H29NO4S
Net Charge0
Average Mass463.599
Monoisotopic Mass463.18173
SMILESO=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCC1
InChIInChI=1S/C27H29NO4S/c29-16-19-8-10-20(11-9-19)17-31-26-15-21(23-18-33-25-7-3-2-6-22(23)25)14-24(32-26)27(30)28-12-4-1-5-13-28/h2-3,6-11,14,18,21,26,29H,1,4-5,12-13,15-17H2/t21-,26+/m0/s1
InChIKeyFSNBMYNAIMSTAJ-HFZDXXHNSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-(1-piperidinyl)methanone (CHEBI:125187) is a N-acylpiperidine (CHEBI:48591)
Manual XrefsDatabases
LSM-36653LINCS