EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115062 - 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one

Default Structure
ChEBI IDCHEBI:115062
ChEBI Name7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one
Stars
DownloadsMolfile
FormulaC17H22N2O4
Net Charge0
Average Mass318.373
Monoisotopic Mass318.15796
SMILESCc1cc(=O)oc2c(CN3CCN(CCO)CC3)c(O)ccc12
InChIInChI=1S/C17H22N2O4/c1-12-10-16(22)23-17-13(12)2-3-15(21)14(17)11-19-6-4-18(5-7-19)8-9-20/h2-3,10,20-21H,4-9,11H2,1H3
InChIKeySCTSSAKKVILHNG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one (CHEBI:115062) is a hydroxycoumarin (CHEBI:37912)
Manual XrefsDatabases
LSM-26524LINCS