Stevioside hydrate - Moligand™, 10mM in DMSO , Agonist of TAS2R4, CAS No.57817-89-7, Agonist of TAS2R4

CAS: 57817-89-7 Cat. No.: S424862 分子式: C₃₈H₆₀O₁₈ 分子量: 804.88 Beilstein Registry Number: 17(4)3618 EC番号: 260-975-5 PubChem CID: 442089

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

KAUR-16-EN-18-OIC ACID, 13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)- | UNII-0YON5MXJ9P | INS NO.960 | (4.ALPHA.)-13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)KAUR-16-EN-18-OIC A

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

By study breast cancer cells in human,it show that tevioside-induced ROS-mediated apoptosis

Specifications

同義語

KAUR-16-EN-18-OIC ACID, 13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)- | UNII-0YON5MXJ9P | INS NO.960 | (4.ALPHA.)-13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)KAUR-16-EN-18-OIC A

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Stevia is a calorie-free natural sweetener that is 300 times sweeter than sucrose. It inhibits transepithelial transport of para-aminohippurate (Pah) by interfering with the organic anion transport system. At 0.5-1 mM, it does not interact with any organi

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of TAS2R4

名前と識別子

• パブケム・シド: 528773390
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528773390
• カノニカル・スマイル: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
• IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
• InChIKey: UEDUENGHJMELGK-HYDKPPNVSA-N
• INCHI: 1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
• 異性体SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
• RTECS: NZ8175000
• 代替CAS番号: 57817-89-7
• PubChem CID: 442089
• MeSH用語: steviol glycoside;stevioside
• 分子量: 804.88
• Beilstein: 17(4)3618
• Reaxy-Rn: 77427

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Diterpene glycosides
          • Level6 Steviol glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Diterpene glycosides
• Direct Parent: Steviol glycosides
• Alternative Parents: Kaurane diterpenoids Fatty acyl glycosides of mono- and disaccharides O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steviol glycoside - Diterpenoid - Kaurane diterpenoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Fatty acyl - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety.
• External Descriptors: Kaurenes

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）

TAS2R4 Tchem Taste receptor type 2 member 4 (0 Activities)

Discover Target: TAS2R4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Homo sapiens (32628 Activities)

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Raji (5516 Activities)

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関連ターゲット（非人間）

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium intracellulare (1532 Activities)

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Aspergillus fumigatus (16427 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Syrian golden hamster (1610 Activities)

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Jejunum (38 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Hygroscopic.
• 比旋光度［α］: -30 ° (C=6, H2O)
• 融点（°C）: 236℃
• 分子量: 804.900 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 804.378 Da
• Monoisotopic Mass: 804.378 Da
• Topological Polar Surface Area: 295.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1450.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 21
• 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

参考文献

1. Tingting Lin, Ben Chen, Liqun Fang, Haibo You, Chu Chu, Qingsong Shao, Shengqiang Tong.  (2022)  Solvent strength of organic phase for two biphasic solvent systems in high speed countercurrent chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36037578] [10.1016/j.chroma.2022.463422]

2. Musa Abubakr, Jiang Bo, Ma Haile, Gasmalla Mohammed A. A., Abdalhai Mandour H., Al-alfarga Ammar.  (2019)  Di-glycosyl-stevioside production via Leuconostoc citreum sk24.002 alternansucrase enzymatic reaction and structural characterization.  Journal of Food Measurement and Characterization,  13  (2): (1159-1165).  [PMID:] [10.1007/s11694-019-00031-9]

3. Jiang Ting-Fu, Chong Lei, Yue Mei-E, Wang Yuan-Hong, Lv Zhi-Hua.  (2015)  Separation and Determination of Carbohydrates in Food Samples by Capillary Electrophoresis Using Dynamically Coating the Capillary with Indirect UV Detection.  Food Analytical Methods,  8  (10): (2588-2594).  [PMID:] [10.1007/s12161-015-0157-z]

4. Abubakr Musa, Ming Miao, Mohammed A.A. Gasmalla, Tao Zhang, Ahmed Eibaid, Waleed Aboshora, Bo Jiang.  (2015)  Effect of shaking velocity on mono-glycosyl-stevioside productivity via alternansucrase acceptor reaction.  JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC,      [PMID:] [10.1016/j.molcatb.2015.03.012]

5. Yutong Jiang, Xin Wen, Jiahui Guo, Hongyu Li, Zhanmei Jiang, Yun Chen.  (2025)  Unraveling how phytochemical saponins suppress α-Lactalbumin thermal aggregation: A Multi-Dimensional Spectrometric Approach.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2025.112029]

6. Zhibin Dong, Fengjun Ma, Xiaocen Wei, Linlin Zhang, Yongling Ding, Lei Shi, Chen Chen, Yuxia Ma, Yuning Ma.  (2024)  Injectable, thermo-sensitive and self-adhesive supramolecular hydrogels built from binary herbal small molecules towards reusable antibacterial coatings.  RSC Advances,  14  (3): (2027-2035).  [PMID:38196913] [10.1039/D3RA07882E]