Sennoside A - analytical standard, ≥96% , CAS No.81-27-6

CAS: 81-27-6 Cat. No.: S106586 分子式: C₄₂H₃₈O₂₀ 分子量: 862.74 Beilstein Registry Number: 5723746 EC番号: 201-339-9 PubChem CID: 73111

GRADE & PURITY Analytical standard, ≥96%

Synonyms

CAS-81-27-6 | SENNOSIDE A (CONSTITUENT OF SENNA LEAF AND PODS) [DSC] | 3,4-Dihydro-1(2H)-naphthalenone | Moivat | Sennae folium | 1-Naphthalenol, 1,2,3,4-tetrahydro- | O8100CBZ4N | SENNOSIDES SENNOSIDE A [MI] | (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Sennoside A is an anthraquinone glycoside found in Cassia angustifolia leaves. Sennoside A is an HIV-1 inhibitor (IC50=3.8 μ M) that inhibits HIV-1 replication. Sennoside A also inhibits HIV-1 reverse transcriptase (RT) - related DNA polymerase (RDDP) and ribonuclease H, with IC50 values of 1.9 μ M and 5.3 μ M, respectively.

Specifications

同義語

CAS-81-27-6 | SENNOSIDE A (CONSTITUENT OF SENNA LEAF AND PODS) [DSC] | 3,4-Dihydro-1(2H)-naphthalenone | Moivat | Sennae folium | 1-Naphthalenol, 1,2,3,4-tetrahydro- | O8100CBZ4N | SENNOSIDES SENNOSIDE A [MI] | (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(

仕様と純度

analytical standard, ≥96%

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

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。

等級

分析用標準物質

純度

≥96%

名前と識別子

• パブケム・シド: 528773655
• カノニカル・スマイル: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
• IUPAC Name: (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
• InChIKey: IPQVTOJGNYVQEO-KGFNBKMBSA-N
• INCHI: 1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
• 異性体SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
• WGKドイツ: 3
• PubChem CID: 73111
• 分子量: 862.74
• Beilstein: 5723746

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthracenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenecarboxylic acids
• Alternative Parents: Phenolic glycosides Naphthalenecarboxylic acids O-glycosyl compounds Hydroxybenzoic acid derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Monosaccharides Oxanes Vinylogous acids Secondary alcohols Polyols Carboxylic acids Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene carboxylic acid - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Hydroxybenzoic acid - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous acid - Ketone - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
• External Descriptors: Anthracenes and phenanthrenes

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

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作用メカニズム

化学的性質と物理的性質

• 感度: Light、 Moisture and heat sensitive
• 分子量: 862.700 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 9
• Exact Mass: 862.196 Da
• Monoisotopic Mass: 862.196 Da
• Topological Polar Surface Area: 348.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1