hyp 9 - Moligand™, ≥95% , Activator of TRPC6, CAS No.3118-34-1, Activator of TRPC6

CAS: 3118-34-1 Cat. No.: H610889 Molecular Weight: 322.40 PubChem CID: 15659415

GRADE & PURITY Moligand™, ≥95%

Synonyms

2,4-(bis-1-ketohexyl)phloroglucinol | 1,1′-(2,4,6-Trihydroxy-1,3-phenylene)bis-1-hexanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 4-(bis-1-ketohexyl)phloroglucinol | 1, 1′-(2, 4, 6-Trihydroxy-1, 3-phenylene)bis-1-hexanone

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Hyperforin is the active ingredient in St. John′s Wort. It is used to treat depression, known to indirectly inhibit reuptake of serotonin and norepinephrine at the synapse, and recently discovered to exert its actions by directly activating TRPC6. TRPC6 i

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPC6

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528768684
• Canonical Smiles: CCCCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCCCC)O
• IUPAC Name: 1-(3-hexanoyl-2,4,6-trihydroxyphenyl)hexan-1-one
• InChIKey: JRHOSBCIYWDGHN-UHFFFAOYSA-N
• INCHI: 1S/C18H26O5/c1-3-5-7-9-12(19)16-14(21)11-15(22)17(18(16)23)13(20)10-8-6-4-2/h11,21-23H,3-10H2,1-2H3
• Isomeric SMILES: CCCCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCCCC)O
• WGK Germany: 3
• PubChem CID: 15659415
• Molecular Weight: 322.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Acylphloroglucinols and derivatives Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acylphloroglucinol derivative - Butyrophenone - Benzenetriol - Phloroglucinol derivative - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Polyol - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 322.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 322.178 Da
• Monoisotopic Mass: 322.178 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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