Isorhapontigenin - ≥96%(HPLC) , CAS No.32507-66-7

CAS: 32507-66-7 Cat. No.: I157676 分子式: C₁₅H₁₄O₄ 分子量: 258.27 EC番号: 803-480-7

GRADE & PURITY ≥96%(HPLC)

Synonyms

I0804 | MFCD12407151 | AC-7023 | ACon1_000713 | 1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]- | ANNNBEZJTNCXHY-NSCUHMNNSA-N | HY-N2593 | MEGxp0_001015 | AMY40659 | (E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol | ?isorhapontigenin | NCGC00

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

I0804 | MFCD12407151 | AC-7023 | ACon1_000713 | 1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]- | ANNNBEZJTNCXHY-NSCUHMNNSA-N | HY-N2593 | MEGxp0_001015 | AMY40659 | (E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol | ?isorhapontigenin | NCGC00

仕様と純度

≥96%(HPLC)

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

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。

純度

≥96%(HPLC)

名前と識別子

• パブケム・シド: 488195336
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488195336
• カノニカル・スマイル: COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
• IUPAC Name: 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
• InChIKey: ANNNBEZJTNCXHY-NSCUHMNNSA-N
• INCHI: 1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
• 異性体SMILES: COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
• WGKドイツ: 3
• 分子量: 258.27
• Reaxy-Rn: 2285028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2285028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Methoxyphenols Styrenes Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Resorcinol - Styrene - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

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

関連ターゲット（非人間）

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作用メカニズム

化学的性質と物理的性質

• 感度: air & heat & light sensitive
• 融点（°C）: 182 °C
• 分子量: 258.269 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• 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

参考文献

1. Qiang Zheng, Yuan Zhang, Xiaofeng Wang, Fudong Wang, Hongyu Zhao.  (2022)  Isorhapontigenin Modulates SOX9/TOLLIP Expression to Attenuate Cell Apoptosis and Oxidative Stress in Paraquat-Induced Acute Kidney Injury.  Oxidative Medicine and Cellular Longevity,      [PMID:35720190] [10.1155/2022/3328623]

2. Huiyan Zha, Shuying Lv, Yuming Hu, Yaochen Xie, Lingkun Wang, Chen Yang, Guilin Li, Shuchen Gong, Li Ping, Difeng Zhu, Jiajia Wang, Qinjie Weng, Qiaojun He, Jincheng Wang.  (2024)  Isorhapontigenin alleviates acetaminophen-induced liver injury by promoting fatty acid oxidation.  BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE,      [PMID:39577212] [10.1016/j.bbadis.2024.167575]