Syringin - analytical standard, ≥98% , CAS No.118-34-3

CAS: 118-34-3 Cat. No.: S101544 Fórmula: C₁₇H₂₄O₉ Peso molecular: 372.37 Número CE: 601-519-0 PubChem CID: 5316860

GRADE & PURITY Analytical standard, ≥98%

Synonyms

beta-D-N4 Hydroxycytidine-5'-isopropyl ester | Methoxyconiferin | A803915 | HMS3885E08 | NSC 287441 | Syringoside | AT18067 | MAGNOLENIN A | SYRINGIN [MI] | 4-O-(beta-D-glucosyl)-trans-4-sinapyl alcohol | NSC287441 | CCG-268321 | Eleutheroside B | Q891785

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

beta-D-N4 Hydroxycytidine-5'-isopropyl ester | Methoxyconiferin | A803915 | HMS3885E08 | NSC 287441 | Syringoside | AT18067 | MAGNOLENIN A | SYRINGIN [MI] | 4-O-(beta-D-glucosyl)-trans-4-sinapyl alcohol | NSC287441 | CCG-268321 | Eleutheroside B | Q891785

Especificações e pureza

analytical standard, ≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Analytical standard

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528774521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774521
• Sorrisos canónicos: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
• InChIKey: QJVXKWHHAMZTBY-GCPOEHJPSA-N
• INCHI: 1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
• SMILES isoméricas: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO
• PubChem CID: 5316860
• Peso molecular: 372.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: O-glycosyl compounds Dimethoxybenzenes Cinnamyl alcohols Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - O-glycosyl compound - Cinnamyl alcohol - Dimethoxybenzene - M-dimethoxybenzene - Methoxybenzene - Anisole - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Primary alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: Sinapate derivatives

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

Alvos associados (humanos)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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EPHX2 Tchem Epoxide hydratase (3844 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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HeLa (62764 Activities)

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KETR3 (279 Activities)

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Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Human immunodeficiency virus 1 (70413 Activities)

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RAW264.7 (28094 Activities)

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rnhA Ribonuclease HI (16 Activities)

Discover Target: rnhA

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Sitophilus granarius (35 Activities)

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Trogoderma granarium (29 Activities)

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Tribolium confusum (93 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 372.400 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 372.142 Da
• Monoisotopic Mass: 372.142 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Referências

1. Jianfa Wu, Lulu Wang, Ying Cui, Chang Liu, Weixing Ding, Shen Ren, Rui Dong, Jing Zhang.  (2024)  Development of a Quality Evaluation Method for Allii Macrostemonis Bulbus Based on Solid-Phase Extraction–High-Performance Liquid Chromatography–Evaporative Light Scattering Detection Chromatographic Fingerprinting, Chemometrics, and Quantitative Analysis of Multi-Components via a Single-Marker Method.  MOLECULES,  29  (19): (4600).  [PMID:39407530] [10.3390/molecules29194600]

2. Siming Nie, Xiaofei Xie, Mengying Zhang, Mengfei Tian, Qi Liang, Chunjian Zhao, Chunying Li.  (2025)  Extracting phytochemicals from Eleutherococcus senticosus using natural low-melting mixtures: Experimental and molecular simulation.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108318]

3. Chunlei Wan, Siyu Sun, Yuqing Du, Yuxing Han, Xueying Li, Yue Yang, Jianing Cao, Jin Miu, Peng Chen, Yuexin Zhang, Shaobo Liu, Lei Zhang.  (2025)  A study on the mechanism of action of Syringin in the treatment of type 2 diabetes by integrating metabolomics, network pharmacology, molecular docking technology and experimental validation.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:41125012] [10.1016/j.intimp.2025.115716]