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

CAS: 32507-66-7 Cat. No.: I157676 Molecular Weight: 258.27 EC Number: 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

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

Specifications & Purity

≥96%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 488195336
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195336
• Canonical Smiles: 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+
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air & heat & light sensitive
• Melt Point(°C): 182 °C
• Molecular Weight: 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

References

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]