Eleutheroside E1 - ≥98% , CAS No.7374-79-0

CAS: 7374-79-0 Cat. No.: E664301 PubChem CID: 443024

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)OC
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: WEKCEGQSIIQPAQ-IRBNZIFYSA-N
• INCHI: 1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1
• 異性体SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC
• 代替CAS番号: 7374-79-0
• PubChem CID: 443024
• MeSH用語: acanthoside B

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • 分類 Lignan glycosides

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 分類: Lignan glycosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lignan glycosides
• Alternative Parents: Furofuran lignans Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides Hexoses O-glycosyl compounds Dimethoxybenzenes Methoxyphenols Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Oxanes Tetrahydrofurans Secondary alcohols Polyols Acetals Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Lignan glycoside - Furanoid lignan - Furofuran lignan skeleton - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Hexose monosaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Furofuran - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Tetrahydrofuran - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Acetal - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.
• External Descriptors: Lignan glycosides

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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MCF7 (126967 Activities)

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T47D (39041 Activities)

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HCT-116 (91556 Activities)

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関連ターゲット（非人間）

RAW264.7 (28094 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 580.600 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 580.216 Da
• Monoisotopic Mass: 580.216 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 807.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7374-79-0. InChIKey WEKCEGQSIIQPAQ-IRBNZIFYSA-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.