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

CAS: 32507-66-7 Cat. No.: I157676 Peso molecular: 258.27 Número EC: 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,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

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

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥96%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488195336
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195336
• Sonrisas canónicas: 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+
• Isómeros SMILES: COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Influenza A virus (11224 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air & heat & light sensitive
• Punto de fusión (°C): 182 °C
• Peso molecular: 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

Referencias

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]