Punicalagin - 10mM in DMSO , CAS No.65995-63-3

CAS: 65995-63-3 Cat. No.: P425326 Fórmula: C₄₈H₂₈O₃₀ Peso molecular: 1084.72

GRADE & PURITY 10mM in DMSO

Synonyms

Punicalagin|65995-63-3|Punicalagin, Technical grade|MFCD09838017|a pomegranate ellagitannin|Punicalagin, analytical standard|CHEBI:167695|GLXC-14665|AKOS037514808|Punicalagin, >=98% (HPLC), from pomegranate|Q-100754|(63R,64R,64aS,616aR)-14,15,16,22,23,27,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Potent immune suppressant isolated from pomegranate.

Specifications

Sinónimos

Punicalagin | 65995-63-3 | Punicalagin, Technical grade | MFCD09838017 | a pomegranate ellagitannin | Punicalagin, analytical standard | CHEBI:167695 | GLXC-14665 | AKOS037514808 | Punicalagin, >=98% (HPLC), from pomegranate | Q-100754 | (63R,64R,64aS,616aR)-14,15,16,22,23,27,

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Punicalagin is a polyphenol component isolated from the leaves of Punica granatum L. or Terminalia catappa L. Punicalagin is a reversible and non competitive 3clpro inhibitor, which can inhibit the replication of sars-cov-2 in vitro. Punicalagin is an ant

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

• Pubchem Sid: 528771381
• Sorrisos canónicos: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
• IUPAC Name: (1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
• InChIKey: ZJVUMAFASBFUBG-UYMKNUMKSA-N
• INCHI: 1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1
• SMILES isoméricas: C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
• Peso molecular: 1084.72
• Reaxy-Rn: 24710239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24710239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Ellagic acids and derivatives 7,8-dihydroxycoumarins Gallic acid and derivatives Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Heteroaromatic compounds Lactones Carboxylic acid esters Hemiacetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydrolyzable tannin - Ellagic_acid - 7,8-dihydroxycoumarin - Gallic acid or derivatives - Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Carboxylic acid ester - Hemiacetal - Lactone - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• 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

Propriedades químicas e físicas

• Peso molecular: 1084.700 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 0
• Exact Mass: 1084.07 Da
• Monoisotopic Mass: 1084.07 Da
• Topological Polar Surface Area: 511.000 Ų
• Heavy Atom Count: 78
• Formal Charge: 0
• Complexity: 2380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Referências

1. Zhejie Chen, Wei Hao, Caifang Gao, Yangyang Zhou, Chen Zhang, Jinming Zhang, Ruibing Wang, Yitao Wang, Shengpeng Wang.  (2022)  A polyphenol-assisted IL-10 mRNA delivery system for ulcerative colitis.  Acta Pharmaceutica Sinica B,      [PMID:35967288] [10.1016/j.apsb.2022.03.025]

2. Zi-Yi Yu, Ke Xu, Xuan Wang, Yi-Ting Wen, Lin-Jun Wang, De-Qiang Huang, Xiao-Xin Chen, Wei-Ming Chai.  (2022)  Punicalagin as a novel tyrosinase and melanin inhibitor: Inhibitory activity and mechanism.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2022.113318]

3. Yao Wang, Yongxiao Chai, Qisheng Qian, Yue Liang, Xin-xin Chen, Guangxu Xing, Liutao Zhao, Songlin Qiao, Rui Li, Gaiping Zhang.  (2026)  Honokiol Inhibits Porcine Reproductive and Respiratory Syndrome Virus Proliferation by Targeting Viral RNA Polymerase.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41693164] [10.1021/acs.jafc.5c11753]