EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139077 - (3aR,4S,9bS)-golgicide A

ChEBI IDCHEBI:139077
ChEBI Name(3aR,4S,9bS)-golgicide A
Stars
ASCII Name(3aR,4S,9bS)-golgicide A
DefinitionA 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aR,4S,9bS configuration.
Last Modified16 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H14F2N2
Net Charge0
Average Mass284.309
Monoisotopic Mass284.11250
SMILES[H][C@@]12CC=C[C@]1([H])c1cc(F)cc(F)c1N[C@@H]2c1cccnc1
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+/m0/s1
InChIKeyNJZHEQOUHLZCOX-WOSRLPQWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3aR,4S,9bS)-golgicide A (CHEBI:139077) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aR,4S,9bS)-golgicide A (CHEBI:139077) is enantiomer of (3aS,4R,9bR)-golgicide A (CHEBI:139078)
Incoming Relation(s)
cis-golgicide A (CHEBI:139079) has part (3aR,4S,9bS)-golgicide A (CHEBI:139077)
(3aS,4R,9bR)-golgicide A (CHEBI:139078) is enantiomer of (3aR,4S,9bS)-golgicide A (CHEBI:139077)
IUPAC Name 
(3aR,4S,9bS)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Synonym  Source
GCA-1ChEBI
Registry NumbersSources
Reaxys:22795823Reaxys