EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79553 - 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one

ChEBI IDCHEBI:79553
ChEBI Name2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
Stars
ASCII Name2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
DefinitionA pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively.
Last Modified28 July 2022
DownloadsMolfile
FormulaC15H10O7
Net Charge0
Average Mass302.238
Monoisotopic Mass302.04265
SMILESO=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12
InChIInChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
InChIKeySPZXXUUDYMHBSG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one (CHEBI:79553) is a pentahydroxyflavone (CHEBI:25883)
Incoming Relation(s)
pilosin (CHEBI:174456) has functional parent 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one (CHEBI:79553)
IUPAC Name 
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Synonym  Source
NortangeretinKEGG COMPOUND
Manual XrefsDatabases
C15031KEGG COMPOUND
Registry NumbersSources
Reaxys:317192Reaxys
CAS:577-26-4KEGG COMPOUND