Asperuloside - ≥95% , CAS No.14259-45-1

CAS: 14259-45-1 Cat. No.: A329543 分子式: C₁₈H₂₂O₁₁ 分子量: 414.4 EC番号: 238-137-5

GRADE & PURITY ≥95%

Synonyms

UNII-V3CFI02X39 | IBIPGYWNOBGEMH-DILZHRMZSA-N | MFCD00673989 | EINECS 238-137-5 | NCGC00380739-01 | (2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(beta-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE | DTXSID70878339 | [(2aS,4aS

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

UNII-V3CFI02X39 | IBIPGYWNOBGEMH-DILZHRMZSA-N | MFCD00673989 | EINECS 238-137-5 | NCGC00380739-01 | (2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(beta-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE | DTXSID70878339 | [(2aS,4aS

仕様と純度

≥95%

生化学的・生理学的メカニズム

Asperuloside has shown potential anti-obesity properties through its suppression of increased white adipose tissue, plasma triglycerides, and free fatty acids in the metabolic syndrome-like mouse model.

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 504755747
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755747
• カノニカル・スマイル: CC(=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 acetate
• InChIKey: IBIPGYWNOBGEMH-DILZHRMZSA-N
• INCHI: 1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
• 異性体SMILES: CC(=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
• 分子量: 414.4
• Reaxy-Rn: 54967385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54967385&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Furopyrans Pyrans Oxanes Dicarboxylic acids and derivatives Gamma butyrolactones Vinylogous esters Tetrahydrofurans Enoate esters Furans Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Furopyran - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Pyran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Furan - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Oxacycle - Acetal - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 414.400 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 414.116 Da
• Monoisotopic Mass: 414.116 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 746.000
• 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