Caulophyllogenin , CAS No.52936-64-8

CAS: 52936-64-8 Cat. No.: C647535 Formule: C₃₀H₄₈O₅ Poids moléculaire: 488.70 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Noms et identifiants

• Sourires canoniques: 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
• Isomères 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
• CAS alternatif: 52936-64-8
• PubChem CID: 104361
• Termes d'entrée MeSH: (3beta,16alpha)-3,16,23-trihydroxyolean-12-en-28-oic acid;caulophyllogenin
• Poids moléculaire: 488.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Hepatitis C virus (23859 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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