Rubinaphthin A , CAS No.448962-05-8

CAS: 448962-05-8 Cat. No.: R649543 Fórmula: C₁₇H₁₈O₉ Peso molecular: 366.32 PubChem CID: 11760306

Synonyms

FS-7841 | DTXSID201345942 | AKOS040760681 | 1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid | HY-N8024 | MEGxp0_000739 | NCGC00169441-01 | ACon1_000703 | 1-Hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Rubinaphthin A is a naphthohydroquinone that can be found in the roots of Rubia yunnanensis . Rubinaphthin A exhibits inhibitory activity against tobacco mosaic virus (TMV)

In Vitro

Rubinaphthin A (compound C) (200 μg/mL) shows inhibitory activity against TMV, with the inhibition rate of 51.49%. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:tobacco mosaic virus

Especificações

Sinónimos

FS-7841 | DTXSID201345942 | AKOS040760681 | 1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid | HY-N8024 | MEGxp0_000739 | NCGC00169441-01 | ACon1_000703 | 1-Hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihy

Mecanismos bioquímicos e fisiológicos

Rubinaphthin A is a naphthohydroquinone that can be found in the roots of Rubia yunnanensis . Rubinaphthin A exhibits inhibitory activity against tobacco mosaic virus (TMV).

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Nomes e identificadores

Sorrisos canónicos

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O

IUPAC Name

1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid

InChIKey

SGTNXGSCHXKQJX-OQAPJDJNSA-N

INCHI

1S/C17H18O9/c18-6-11-13(20)14(21)15(22)17(26-11)25-10-5-9(16(23)24)12(19)8-4-2-1-3-7(8)10/h1-5,11,13-15,17-22H,6H2,(H,23,24)/t11-,13-,14+,15-,17-/m1/s1

SMILES isoméricas

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

CAS alternativo

448962-05-8

PubChem CID

11760306

Peso molecular

366.32

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: Naphthalenecarboxylic acids Hexoses O-glycosyl compounds Naphthols and derivatives Salicylic acid and derivatives Oxanes Vinylogous acids Secondary alcohols Acetals Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - 1-naphthol - O-glycosyl compound - Hydroxybenzoic acid - Naphthalene - Salicylic acid or derivatives - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic heteropolycyclic 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: 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: 366.300 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 366.095 Da
• Monoisotopic Mass: 366.095 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 501.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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