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

CAS: 20547-45-9 Cat. No.: P646420 분자식: C₁₈H₂₂O₁₁S 분자량: 446.4 PubChem CID: 442432

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

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

이성체 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

분자량

446.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (224.00 mM; Need ultrasonic)
• 분자량: 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

자주 묻는 질문

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.