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

CAS: 3118-34-1 Cat. No.: H610889 Formule: C₁₈H₂₆O₅ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Grade

Moligand™

Type d'action

ACTIVATOR

Mécanisme d'action

Activator of TRPC6

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528768684
• Sourires canoniques: 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
• Isomères SMILES: CCCCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCCCC)O
• WGK Allemagne: 3
• PubChem CID: 15659415
• Poids moléculaire: 322.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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