Songorine - ≥98% , CAS No.509-24-0

CAS: 509-24-0 Cat. No.: S414326 Peso molecular: 357.49 Número EC: 683-096-2 PubChem CID: 71456946

GRADE & PURITY ≥98%

Synonyms

7,20-Cycloveatchan-12-one, 21-ethyl-1,15-dihydroxy-4-methyl-16-methylene, (1alpha,15beta)- | 64E5D8C741 | Songorin | SONGORINE [MI] | NAPELLONIN | Xuan-Wu 2 | Bullatine G | CCG-268125 | (1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Songorine, a ubiquitous alkaloid in the genus Aconitum, is a novel antagonist of the GABAA receptor in rat brain and has antiarrhythmic, antinociceptive, anti-inflammatory, regenerative and CNS-modulating properties.

Specifications

Sinónimos

7, 20-Cycloveatchan-12-one, 21-ethyl-1, 15-dihydroxy-4-methyl-16-methylene, (1alpha, 15beta)- | 64E5D8C741 | Songorin | SONGORINE [MI] | NAPELLONIN | Xuan-Wu 2 | Bullatine G | CCG-268125 | (1R, 2R, 5R, 7R, 8R, 9R, 10R, 13R, 16S, 17R)-11-ethyl-7, 16-dihydroxy-13-methyl

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Songorine, a ubiquitous alkaloid in the genus Aconitum, is a novel antagonist of the GABAA receptor in rat brain and has antiarrhythmic, antinociceptive, anti-inflammatory, regenerative and CNS-modulating properties.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: 1.035
• Recuento HBD: 2
• Enlace rotable: 1

Nombres e identificadores

• Pubchem Sid: 504772117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772117
• Sonrisas canónicas: CCN1CC2(CCC(C34C2CC(C31)C56C4CC(=O)C(C5)C(=C)C6O)O)C
• IUPAC Name: (1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
• InChIKey: CBOSLVQFGANWTL-DVPYZRQCSA-N
• INCHI: 1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1
• Isómeros SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4CC(=O)[C@H](C5)C(=C)[C@H]6O)O)C
• PubChem CID: 71456946
• Peso molecular: 357.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Diterpenoids
        • Level5 Kaurane diterpenoids
          • Level6 Napelline-type diterpenoid alkaloids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Kaurane diterpenoids
• Direct Parent: Napelline-type diterpenoid alkaloids
• Alternative Parents: Alkaloids and derivatives Azepanes Piperidines Trialkylamines Secondary alcohols Ketones Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Napelline-type diterpenoid alkaloid - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.
• 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 71 mg/mL (198.6 mM)
• DMSO (mg/ml) Solubilidad máxima: 10
• DMSO (mM) Solubilidad máxima: 27.9730889932496
• Peso molecular: 357.500 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 357.23 Da
• Monoisotopic Mass: 357.23 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 735.000
• 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