EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125703 - [(3aR,4S,9bR)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:125703
ChEBI Name[(3aR,4S,9bR)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
DownloadsMolfile
FormulaC23H30N4O3S
Net Charge0
Average Mass442.585
Monoisotopic Mass442.20386
SMILESCC1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(C5=CCCCC5)cc4[C@@H]32)=N1
InChIInChI=1S/C23H30N4O3S/c1-15-13-24-23(25-15)31(29,30)27-11-10-18-21(14-28)26(2)20-9-8-17(12-19(20)22(18)27)16-6-4-3-5-7-16/h6,8-9,12-13,15,18,21-22,28H,3-5,7,10-11,14H2,1-2H3/t15?,18-,21-,22-/m1/s1
InChIKeySJMDVRHHCNYCDG-DIWRQPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bR)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:125703) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-37272LINCS