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

CAS: 20784-60-5 Cat. No.: O648851 Molecular Weight: 338.4 PubChem CID: 5321765
COA
4'-O-Methylbavachalcone - ≥99% CAS No(20784-60-5) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
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) |
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
O648851-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$128.90
5mg
O648851-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$336.90
10mg
O648851-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$572.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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)

Specifications

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
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(=CCC1=CC(=C(C=C1OC)O)C(=O)C=CC2=CC=C(C=C2)O)C
IUPAC Name(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
InChIKeyZUGCRBMNFSAUOC-YRNVUSSQSA-N
INCHI1S/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+
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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct Parent3-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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ishikawa (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 50 mg/mL (147.75 mM; Need ultrasonic)
Molecular Weight338.400 g/mol
XLogP35.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.152 Da
Monoisotopic Mass338.152 Da
Topological Polar Surface Area66.800 Ų
Heavy Atom Count25
Formal Charge0
Complexity484.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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