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

CAS: 81-27-6 Cat. No.: S106586 Formula: C₄₂H₃₈O₂₀ Peso molecolare: 862.74 Beilstein Registry Number: 5723746 Numero EC: 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

Panoramica

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

Sinonimi

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-[(

Specifiche e purezza

analytical standard, ≥96%

Condizioni di conservazione di stoccaggio

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

Spedito in

Ice chest + Ice pads

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Grado

Standard analitico

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 528773655
• Sorrisi canonici: 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
• Isomeri 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 Germania: 3
• PubChem CID: 73111
• Peso molecolare: 862.74
• Beilstein: 5723746

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light、 Moisture and heat sensitive
• Peso molecolare: 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