EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2901 - Astrophylline

ChEBI IDCHEBI:2901
ChEBI NameAstrophylline
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC19H26N2O
Net Charge0
Average Mass298.430
Monoisotopic Mass298.20451
SMILES[H][C@@]1([C@]2([H])CCCCN2)CCCN(C(=O)/C=C\c2ccccc2)C1
InChIInChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m1/s1
InChIKeyXIZYLQMCWHMQNP-ZHJNCLIFSA-N
ChEBI Ontology
Outgoing Relation(s)
Astrophylline (CHEBI:2901) is a cinnamamides (CHEBI:23247)
Astrophylline (CHEBI:2901) is a tertiary carboxamide (CHEBI:140326)
Synonym  Source
AstrophyllineKEGG COMPOUND
Manual XrefsDatabases
C10131KEGG COMPOUND
C00002022KNApSAcK
Registry NumbersSources
CAS:5081-53-8KEGG COMPOUND