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

CAS: 20547-45-9 Cat. No.: P646420 Formule: C₁₈H₂₂O₁₁S Poids moléculaire: 446.4 PubChem CID: 442432

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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

Isomères 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

Poids moléculaire

446.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (224.00 mM; Need ultrasonic)
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20547-45-9, the molecular formula is C18H22O11S, and the molecular weight is 446.4 g/mol. InChIKey OJISWUQNQQWEND-FCVLBCLDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.