Hamamelitannin - ≥98% , CAS No.469-32-9

CAS: 469-32-9 Cat. No.: H355091 分子式: C₂₀H₂₀O₁₄ 分子量: 484.36 EC番号: 207-416-3

GRADE & PURITY ≥98%

Synonyms

Hamamelitannin | hamamelitanin | [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate | Q15632711 | Hamamelofuranose2,5-digallate | MFCD33023081 | ((2S,3S,4S)-3,4,5-trihydroxytetrahydrofuran-2,4-di

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

概要

Hamamelitannin a polyphenol extracted from the bark of Hamamelis virginiana, has cytotoxic and antibiofilm activities，and is a quorum-sensing (QS) inhibitor.It increases antibiotic susceptibility of staphylococcus aureus biofilms by affecting peptidoglycan biosynthesis and eDNA release.It also has a high protective activity on cell damage induced by peroxides.

Specifications

同義語

Hamamelitannin | hamamelitanin | [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate | Q15632711 | Hamamelofuranose2,5-digallate | MFCD33023081 | ((2S,3S,4S)-3,4,5-trihydroxytetrahydrofuran-2,4-di

仕様と純度

≥98%

保管条件

Store at 2-8°C,Desiccated

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。

アクションタイプ

INHIBITOR

純度

≥98%

製品の性質

• pKa: pKa: 8.42 (Predicted)

名前と識別子

• パブケム・シド: 504770383
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504770383
• カノニカル・スマイル: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
• IUPAC Name: [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
• InChIKey: FEPAFOYQTIEEIS-WZKFEGCESA-N
• INCHI: 1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1
• 異性体SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]2[C@@H]([C@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
• WGKドイツ: 3
• 分子量: 484.36
• Reaxy-Rn: 25442642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25442642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives
            • Level7 Galloyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Gallic acid and derivatives
• Direct Parent: Galloyl esters
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pentoses Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Tertiary alcohols Oxolanes 1,2-diols Secondary alcohols Carboxylic acid esters Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pentose monosaccharide - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monosaccharide - Oxolane - Tertiary alcohol - Hemiacetal - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol, acetone, and dioxane. Insoluble in water.
• 屈折率: n20D1.75 (Predicted)
• 沸点（°C）: 947.5° C at 760 mmHg
• 融点（°C）: 130-145° C
• 分子量: 484.400 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 484.085 Da
• Monoisotopic Mass: 484.085 Da
• Topological Polar Surface Area: 244.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 710.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1