Hyperforin - Moligand™, ≥98% , Agonist of Pregnane X receptor;Activator of TRPC6, CAS No.11079-53-1, Agonist of Pregnane X receptor;Activator of TRPC6

CAS: 11079-53-1 Cat. No.: H275963 Molecular Weight: 536.78

GRADE & PURITY Moligand™, ≥98%

Synonyms

(+)-Hyperforin | Q412742 | UNII-RM741E34FP | HYPERFORIN [HSDB] | Spectrum5_002025 | GTPL2764 | HYPERFORIN (CONSTITUENT OF ST. JOHN'S WORT) [DSC] | C07608 | HSDB 7646 | hyperforin | DB01892 | IWBJJCOKGLUQIZ-HQKKAZOISA-N | BICYCLO(3.3.1)NON-3-ENE-2,9-DIONE,

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store In the Dark. Store under desiccating conditions. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Synonyms

(+)-Hyperforin | Q412742 | UNII-RM741E34FP | HYPERFORIN [HSDB] | Spectrum5_002025 | GTPL2764 | HYPERFORIN (CONSTITUENT OF ST. JOHN'S WORT) [DSC] | C07608 | HSDB 7646 | hyperforin | DB01892 | IWBJJCOKGLUQIZ-HQKKAZOISA-N | BICYCLO(3.3.1)NON-3-ENE-2, 9-DIONE,

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

'Biological description': "Key constituent of St. John's wort. Various pharmacological effects. Antibacterial, antimalarial, anti-inflammatory, anticancer, antiangiogenic and antidepressant effects. Potential anti-Alzheimer compound. Active in vitro and i

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR, AGONIST

Mechanism of action

Agonist of Pregnane X receptor;Activator of TRPC6

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758751
• Canonical Smiles: CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C
• IUPAC Name: (1R,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
• InChIKey: KGSZHKRKHXOAMG-HQKKAZOISA-N
• INCHI: 1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
• Isomeric SMILES: CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C
• WGK Germany: 2
• Alternate CAS: 238074-03-8
• Molecular Weight: 536.78
• Reaxy-Rn: 24710083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24710083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Cyclohexenones Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Cyclohexenone - Vinylogous acid - Ketone - Enol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Associated Targets(Human)

TRPC6 Tchem Short transient receptor potential channel 6 (0 Activities)

Discover Target: TRPC6

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

NR1I2 Tchem Nuclear receptor subfamily 1 group I member 2 (3 Activities)

Discover Target: NR1I2

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

Chemical and Physical Properties

• Solubility: Soluble in ethanol and in DMSO to 10 mM
• Sensitivity: air and light sensitive
• Flash Point(°F): 48.2 °F
• Flash Point(°C): 9 °C
• Molecular Weight: 536.800 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 536.387 Da
• Monoisotopic Mass: 536.387 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 1140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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