Caulophyllogenin , CAS No.52936-64-8

CAS: 52936-64-8 Cat. No.: C647535 分子式: C₃₀H₄₈O₅ 分子量: 488.70 EC番号: 258-265-5 PubChem CID: 104361

Synonyms

HY-N7687 | SCHEMBL2597674 | DTXSID40967406 | 5VN | EINECS 258-265-5 | CHEBI:191082 | Q27456067 | FS-7265 | (3beta,4alpha,16alpha)-3,16,23-Trihydroxyolean-12-en-28-oic acid | (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Caulophyllogenin is a triterpene saponin extracted from M. polimorpha . Caulophyllogenin is a partial PPARγ agonist, with an EC 50 of 12.6 μM. Caulophyllogenin can be used for the research of type-2 diabetes, obesity, metabolic syndrome and inflammation

IC50& Target:PPARγ 12.6 μM (EC 50 )

Specifications

同義語

HY-N7687 | SCHEMBL2597674 | DTXSID40967406 | 5VN | EINECS 258-265-5 | CHEBI:191082 | Q27456067 | FS-7265 | (3beta,4alpha,16alpha)-3,16,23-Trihydroxyolean-12-en-28-oic acid | (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a

生化学的・生理学的メカニズム

Caulophyllogenin is a triterpene saponin extracted from M. polimorpha . Caulophyllogenin is a partial PPARγ agonist, with an EC 50 ofu200912.6u2009μM. Caulophyllogenin can be used for the research of type-2 diabetes, obesity, metabolic syndrome and inflam

保管条件

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。

アクションタイプ

AGONIST

名前と識別子

• カノニカル・スマイル: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)O)C)C(=O)O)C
• IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• InChIKey: FABOBEOYNMHSHB-UAWZMHPWSA-N
• INCHI: 1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
• 異性体SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O
• 代替CAS番号: 52936-64-8
• PubChem CID: 104361
• MeSH用語: (3beta,16alpha)-3,16,23-trihydroxyolean-12-en-28-oic acid;caulophyllogenin
• 分子量: 488.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Steroids and steroid derivatives Beta hydroxy acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Steroid - Beta-hydroxy acid - Hydroxy acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Primary alcohol - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

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（非人間）

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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: 488.700 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 488.35 Da
• Monoisotopic Mass: 488.35 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 941.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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