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4'-O-Methylbavachalcone - 99%, high purity , CAS No.20784-60-5

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
O648851
Grouped product items
SKU Size
Availability
 Price Qty
O648851-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$80.90
O648851-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$168.90
O648851-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$286.90
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Flavonoids Chalcones Phenols Polyphenols

View related series
Anti-infection (2803) Flavonoids Chalcones Phenols Polyphenols (9) SARS-CoV (200) Virus (1811)

Basic Description

Synonyms Q27096720 | (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | (E)-1-(2-Hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | AC-34316 | HY-N1910 | 4'-O-methylbavachalcone (4) |
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms 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 IC 50 of 10.1 μM.
Storage Temp Protected from light,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product 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 IC 50 of 10.1 μM

Form:Solid

IC50& Target:IC50: 10.1 μM (PLpro)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Linear 1,3-diarylpropanoids
Subclass Chalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct Parent 3-prenylated chalcones
Alternative Parents 2'-Hydroxychalcones  Cinnamylphenols  Hydroxycinnamic acids and derivatives  Methoxyphenols  Anisoles  Aryl ketones  Benzoyl derivatives  Styrenes  Phenoxy compounds  Methoxybenzenes  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Acryloyl compounds  Enones  Vinylogous acids  Hydrocarbon derivatives  Organic oxides  
Molecular Framework Aromatic homomonocyclic compounds
Substituents 3-prenylated chalcone - 2'-hydroxychalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Phenol ether - Styrene - Anisole - Aryl ketone - Methoxybenzene - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Vinylogous acid - Enone - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-position.
External Descriptors Chalcones and dihydrochalcones

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ishikawa (877 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Micrococcus luteus (7463 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
INCHI InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+
InChIKey ZUGCRBMNFSAUOC-YRNVUSSQSA-N
Smiles CC(=CCC1=CC(=C(C=C1OC)O)C(=O)C=CC2=CC=C(C=C2)O)C
Isomeric SMILES CC(=CCC1=CC(=C(C=C1OC)O)C(=O)/C=C/C2=CC=C(C=C2)O)C
Alternate CAS 20784-60-5
PubChem CID 5321765
MeSH Entry Terms 4'-O-methylbroussochalcone B
Molecular Weight 338.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 50 mg/mL (147.75 mM; Need ultrasonic)
Molecular Weight 338.400 g/mol
XLogP3 5.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 338.152 Da
Monoisotopic Mass 338.152 Da
Topological Polar Surface Area 66.800 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 484.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

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