4'-Methoxychalcone 4'-Methoxychalcone, found in citrus, is chalcone derivative that has shown diverse pharmacological properties, including anti-tumor and anti-inflammatory activities. 4'-Methoxychalcone significantly enhanced adipocyte differentiation, in part, by its potent effects on PPARγ activation and by its reverse effect on TNF-α .

Product Application
4-Methoxychalcone is used as a precursor to prepare 3-(4-methoxy-phenyl)-3-morpholin-4-yl-1-phenyl-propan-1-one by reacting with morpholine in presence of heptanes as solvent.

사양

동의어

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

4'-Methoxychalcone, found in citrus, is chalcone derivative that has shown diverse pharmacological properties, including anti-tumor and anti-inflammatory activities. 4'-Methoxychalcone significantly enhanced adipocyte differentiation, in part, by its pote

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Store at -20°C

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Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504759714

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759714

정식 스마일

COC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2

IUPAC Name

(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one

InChIKey

KJHHAPASNNVTSN-KPKJPENVSA-N

INCHI

1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+

이성체 SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2

분자량

238.29

Reaxy-Rn

644640

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=644640&ln=

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 분류 Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
분류	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retrochalcones
Alternative Parents	Styrenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Anisole - Benzoyl - Phenol ether - Styrene - Phenoxy compound - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors	Chalcones and dihydrochalcones
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Lot Number	Certificate Type	날짜	항목
I2620058	Certificate of Analysis	Sep 22, 2026	M413349
F2223289	Certificate of Analysis	Apr 03, 2025	M413349
F2223291	Certificate of Analysis	Apr 03, 2025	M413349
F2223292	Certificate of Analysis	Apr 03, 2025	M413349

용해성	Solubility (25°C) In vitro DMSO: 48 mg/mL (201.44 mM); Ethanol: 2 mg/mL (8.39 mM); Water: Insoluble;
녹는점(°C)	101-103℃
분자량	238.280 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	238.099 Da
Monoisotopic Mass	238.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	281.000
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

4'-Methoxychalcone - ≥98% , CAS No.959-23-9

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