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CHEBI:75107 - datiscetin

ChEBI IDCHEBI:75107
ChEBI Namedatiscetin
Stars
DefinitionA tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.
Secondary ChEBI IDCHEBI:4328
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H10O6
Net Charge0
Average Mass286.239
Monoisotopic Mass286.04774
SMILESO=c1c(O)c(-c2ccccc2O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H
InChIKeyWCNLFPKXBGWWDS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
datiscetin (CHEBI:75107) is a 7-hydroxyflavonol (CHEBI:52267)
datiscetin (CHEBI:75107) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one
Synonyms  Source
3,5,7,2'-TetrahydroxyflavoneKEGG COMPOUND
3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-4-benzopyroneChemIDplus
Manual XrefsDatabases
C10036KEGG COMPOUND
LMPK12111622LIPID MAPS
WO2007082178Patent
EP1847265Patent
C00004562KNApSAcK
Registry NumbersSources
Reaxys:39982Reaxys
CAS:480-15-9KEGG COMPOUND
CAS:480-15-9ChemIDplus