Paederoside - ≥99% , CAS No.20547-45-9

CAS: 20547-45-9 Cat. No.: P646420 Peso molecular: 446.4 PubChem CID: 442432

GRADE & PURITY ≥99%

Synonyms

Q27107605 | AKOS037515167 | MEGxp0_000910 | MS-28054 | CHEBI:7888 | NCGC00168973-01 | NCGC00168973-03 | carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa . Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation

Form:Solid

IC50& Target:IC50: Epstein-Barr virus

Specifications

Sinónimos

Q27107605 | AKOS037515167 | MEGxp0_000910 | MS-28054 | CHEBI:7888 | NCGC00168973-01 | NCGC00168973-03 | carbonothioic acid, O-[[(2aS, 4aS, 5S, 7bS)-5-(beta-D-glucopyranosyloxy)-2a, 4a, 5, 7b-tetrahydro-1-oxo-1H-2, 6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa . Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CSC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O
• IUPAC Name: [(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate
• InChIKey: OJISWUQNQQWEND-FCVLBCLDSA-N
• INCHI: 1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
• Isómeros SMILES: CSC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• PubChem CID: 442432
• Peso molecular: 446.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Furopyrans Pyrans Gamma butyrolactones Oxanes Vinylogous esters Tetrahydrofurans Furans Enoate esters Monothioacetals Secondary alcohols Organic thiocarbonic acid derivatives Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Sulfenyl compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Furopyran - Gamma butyrolactone - Monosaccharide - Pyran - Oxane - Furan - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Monothioacetal - Carboxylic acid ester - Lactone - Secondary alcohol - Carbonic acid derivative - Thiocarbonic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Carbonyl group - Organosulfur compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: Iridoids

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (224.00 mM; Need ultrasonic)
• Peso molecular: 446.400 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 446.088 Da
• Monoisotopic Mass: 446.088 Da
• Topological Polar Surface Area: 187.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 767.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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