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4′-O-Methylbavachalcone

4′-O-Methylbavachalcone structure

4′-O-Methylbavachalcone 

structure
  • CAS No:

    20784-60-5

  • Formula:

    C21H22O4

  • Chemical Name:

    4′-O-Methylbavachalcone

  • Synonyms:

    2-Propen-1-one,1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-,(2E)-;Chalcone,2′,4-dihydroxy-4′-methoxy-5′-(3-methyl-2-butenyl)-;2-Propen-1-one,1-[2-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-,(E)-;(2E)-1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one;4′-O-Methylbavachalcone;4′-O-Methylbroussochalcone B;19825-38-8;63569-09-5

  • Categories:

    Natural Products  >  Flavonoids

Description

4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1].

4′-O-Methylbavachalcone Basic Attributes

338.403

338.40

Characteristics

66.8

5.4

1.2±0.1 g/cm3

169.9-170.1 °C @ Solvent: Ethyl acetate, Hexane

194.9±23.6 °C

1.622

Drug Information

4'-O-methylbroussochalcone B

4′-O-Methylbavachalcone Use and Manufacturing

Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Computed Properties

Molecular Weight:338.4
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.15180918
Monoisotopic Mass:338.15180918
Topological Polar Surface Area:66.8
Heavy Atom Count:25
Complexity:484
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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