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CHEBI:139081 - (3aS,4S,9bR)-golgicide A

ChEBI IDCHEBI:139081
ChEBI Name(3aS,4S,9bR)-golgicide A
Stars
ASCII Name(3aS,4S,9bR)-golgicide A
DefinitionA 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aS,4S,9bR configuration.
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-DVOMOZLQSA-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)
(3aS,4S,9bR)-golgicide A (CHEBI:139081) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aS,4S,9bR)-golgicide A (CHEBI:139081) is enantiomer of (3aR,4R,9bS)-golgicide A (CHEBI:139080)
Incoming Relation(s)
trans-golgicide A (CHEBI:139082) has part (3aS,4S,9bR)-golgicide A (CHEBI:139081)
(3aR,4R,9bS)-golgicide A (CHEBI:139080) is enantiomer of (3aS,4S,9bR)-golgicide A (CHEBI:139081)
IUPAC Name 
(3aS,4S,9bR)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Synonym  Source
GCA-4ChEBI