EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126678 - [(3aS,4S,9bS)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:126678
ChEBI Name[(3aS,4S,9bS)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
DownloadsMolfile
FormulaC28H28N2O2
Net Charge0
Average Mass424.544
Monoisotopic Mass424.21508
SMILESCOc1ccccc1CN1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@@H]2CO
InChIInChI=1S/C28H28N2O2/c1-32-27-10-6-5-9-22(27)18-30-16-15-23-26(19-31)29-25-14-13-21(17-24(25)28(23)30)12-11-20-7-3-2-4-8-20/h2-10,13-14,17,23,26,28-29,31H,15-16,18-19H2,1H3/t23-,26+,28-/m0/s1
InChIKeyMENQJJQMXIRPEC-AQHOXQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:126678) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-38241LINCS