EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181298 - 1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol

ChEBI IDCHEBI:181298
ChEBI Name1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25NO4
Net Charge0
Average Mass307.390
Monoisotopic Mass307.17836
SMILESCOc1c2c(cc3c1C(CC(O)C(C)C)N(C)CC3)OCO2
InChIInChI=1S/C17H25NO4/c1-10(2)13(19)8-12-15-11(5-6-18(12)3)7-14-16(17(15)20-4)22-9-21-14/h7,10,12-13,19H,5-6,8-9H2,1-4H3
InChIKeyYOXGNJRAWXKDHZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol (CHEBI:181298) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol
Manual XrefsDatabases
2939882ChemSpider