CHEBI:149991 - 7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one

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ChEBI Name 7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one
ChEBI ID CHEBI:149991
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H15ClO7
Net Charge 0
Average Mass 426.810
Monoisotopic Mass 426.05063
InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
InChIKey BIVPHUOIFUDUSK-UHFFFAOYSA-N
SMILES C1=C(OCC2=CC=CC(=C2)Cl)C=C3OC(=C(O)C(=O)C3=C1O)C=4C=C(C(=CC4)O)O
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing 7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one (CHEBI:149991) has role anticoronaviral agent (CHEBI:149553)
7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one (CHEBI:149991) is a hydroxyflavan (CHEBI:72010)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL