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CHEBI:149994 - 3-[[2-(1,3-Benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile

ChEBI IDCHEBI:149994
ChEBI Name3-[[2-(1,3-Benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile
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DownloadsMolfile
FormulaC24H15NO7
Net Charge0
Average Mass429.384
Monoisotopic Mass429.08485
SMILESN#Cc1cccc(COc2cc(O)c3c(=O)c(O)c(-c4ccc5c(c4)OCO5)oc3c2)c1
InChIInChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
InChIKeyHUDLJTDCXGYOKM-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
3-[[2-(1,3-Benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile (CHEBI:149994) has role anticoronaviral agent (CHEBI:149553)
3-[[2-(1,3-Benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile (CHEBI:149994) is a hydroxyflavan (CHEBI:72010)