EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177492 - cositecan

ChEBI IDCHEBI:177492
ChEBI Namecositecan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N2O4Si
Net Charge0
Average Mass448.595
Monoisotopic Mass448.18183
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)C
InChIInChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1
InChIKeyPOADTFBBIXOWFJ-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
cositecan (CHEBI:177492) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name 
(19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Manual XrefsDatabases
D09327KEGG DRUG
130651ChemSpider
DB05806DrugBank
Registry NumbersSources
CAS:203923-89-1ChemIDplus