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CHEBI:139078 - (3aS,4R,9bR)-golgicide A

ChEBI IDCHEBI:139078
ChEBI Name(3aS,4R,9bR)-golgicide A
Stars
ASCII Name(3aS,4R,9bR)-golgicide A
DefinitionA 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aS,4R,9bR configuration. It is the most active stereoisomer of golgicide A.
Last Modified16 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H14F2N2
Net Charge0
Average Mass284.309
Monoisotopic Mass284.11250
SMILES[H][C@@]12C=CC[C@]1([H])[C@H](c1cccnc1)Nc1c(F)cc(F)cc12
InChIInChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16+/m1/s1
InChIKeyNJZHEQOUHLZCOX-WWGRRREGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
cis-Golgi ArfGEF GBF inhibitor  Any inhibitor of cis-Golgi ArfGEF GBF.
ChEBI Ontology
Outgoing Relation(s)
(3aS,4R,9bR)-golgicide A (CHEBI:139078) has role cis-Golgi ArfGEF GBF inhibitor (CHEBI:139084)
(3aS,4R,9bR)-golgicide A (CHEBI:139078) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aS,4R,9bR)-golgicide A (CHEBI:139078) is enantiomer of (3aR,4S,9bS)-golgicide A (CHEBI:139077)
Incoming Relation(s)
cis-golgicide A (CHEBI:139079) has part (3aS,4R,9bR)-golgicide A (CHEBI:139078)
(3aR,4S,9bS)-golgicide A (CHEBI:139077) is enantiomer of (3aS,4R,9bR)-golgicide A (CHEBI:139078)
IUPAC Name 
(3aS,4R,9bR)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Synonym  Source
GCA-2ChEBI
Registry NumbersSources
Reaxys:22795822Reaxys