EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174157 - 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI

ChEBI IDCHEBI:174157
ChEBI Name2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2O2
Net Charge0
Average Mass298.386
Monoisotopic Mass298.16813
SMILESCN1c2ccc(cc2)CC(O)N(C)c2ccc(cc2)CC1O
InChIInChI=1S/C18H22N2O2/c1-19-15-7-3-14(4-8-15)12-18(22)20(2)16-9-5-13(6-10-16)11-17(19)21/h3-10,17-18,21-22H,11-12H2,1-2H3
InChIKeyZKYBZOKMKHPBAJ-UHFFFAOYSA-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)
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI (CHEBI:174157) is a dialkylarylamine (CHEBI:23665)
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI (CHEBI:174157) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2,9-dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene-3,10-diol
Manual XrefsDatabases
35014679ChemSpider
HMDB0038832HMDB