3-Deoxysappanchalcone - ≥99% , CAS No.112408-67-0

CAS: 112408-67-0 Cat. No.: D650679 分子式: C₁₆H₁₄O₄ 分子量: 270.28 PubChem CID: 5319688

GRADE & PURITY ≥99%

Synonyms

LHE9JFQ1U8 | 2''''-O-Methylisoliquiritigenin | 2'-O-Methylisoliquiritigenin | 2''''-Methoxy Liquiritigenin | 2'-Methoxy Liquiritigenin | 2'--ethylisoliquiritigein | AKOS032948837 | UNII-LHE9JFQ1U8 | (2E)-1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

3-Deoxysappanchalcone is a naturally-occurring chalcone compound isolated from Caesalpinia sappan L. (Leguminosae), which possesses anti-allergic, antiviral, anti-inflammatory and antioxidant activities. 3-Deoxysappanchalcone exerts anti-inflammatory activity via induce heme oxygenase-1 (HO-1) expression by activating the AKT/mTOR pathway in murine macrophages. 3-Deoxysappanchalcone also exhibits anti-influenza virus activity (H3N2, IC 50 = 1.06 μM)

Form:Solid

IC50& Target:IC50: 1.06 μM (H3N2)

Specifications

同義語

LHE9JFQ1U8 | 2''''-O-Methylisoliquiritigenin | 2'-O-Methylisoliquiritigenin | 2''''-Methoxy Liquiritigenin | 2'-Methoxy Liquiritigenin | 2'--ethylisoliquiritigein | AKOS032948837 | UNII-LHE9JFQ1U8 | (2E)-1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2

仕様と純度

≥99%

生化学的・生理学的メカニズム

3-Deoxysappanchalcone is a naturally-occurring chalcone compound isolated from Caesalpinia sappan L. (Leguminosae), which possesses anti-allergic, antiviral , anti-inflammatory and antioxidant activities. 3-Deoxysappanchalcone exerts anti-inflammatory ac

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=C(C=C2)O
• IUPAC Name: (E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• InChIKey: PACBGANPVNHGNP-RUDMXATFSA-N
• INCHI: 1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+
• 異性体SMILES: COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O
• 代替CAS番号: 51828-10-5,112408-67-0
• PubChem CID: 5319688
• MeSH用語: 3-deoxysappanchalcone
• 分子量: 270.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Linear 1,3-diarylpropanoids
      • Subclass Cinnamylphenols

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Linear 1,3-diarylpropanoids
• Subclass: Cinnamylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamylphenols
• Alternative Parents: Hydroxycinnamic acids and derivatives Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamylphenol - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups.
• External Descriptors: Chalcones and dihydrochalcones

Data sources

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

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FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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NA Neuraminidase (1107 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (184.99 mM; Need ultrasonic)
• 分子量: 270.280 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 344.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 112408-67-0, the molecular formula is C16H14O4, and the molecular weight is 270.28 g/mol. InChIKey PACBGANPVNHGNP-RUDMXATFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.