EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130608 - [(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone

ChEBI IDCHEBI:130608
ChEBI Name[(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
Stars
DownloadsMolfile
FormulaC19H26N2O2
Net Charge0
Average Mass314.429
Monoisotopic Mass314.19943
SMILESCN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21
InChIInChI=1S/C19H26N2O2/c1-20-16-11-21(19(23)13-7-3-2-4-8-13)15-10-6-5-9-14(15)18(16)17(20)12-22/h5-6,9-10,13,16-18,22H,2-4,7-8,11-12H2,1H3/t16-,17+,18+/m0/s1
InChIKeyWONCUPNUAUXHCN-RCCFBDPRSA-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)
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone (CHEBI:130608) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-42157LINCS