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CHEBI:149992 - 3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl]-benzonitrile

ChEBI IDCHEBI:149992
ChEBI Name3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl]-benzonitrile
Stars
DownloadsMolfile
FormulaC23H15NO7
Net Charge0
Average Mass417.373
Monoisotopic Mass417.08485
SMILESN#Cc1cccc(COc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)c1
InChIInChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
InChIKeyJBMZSOUKPAAEJU-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl]-benzonitrile (CHEBI:149992) has role anticoronaviral agent (CHEBI:149553)
3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl]-benzonitrile (CHEBI:149992) is a hydroxyflavan (CHEBI:72010)