Alpinetin - 10mM in DMSO , CAS No.36052-37-6

CAS: 36052-37-6 Cat. No.: A423623 Fórmula: C₁₆H₁₄O₄ Peso molecular: 270.28

GRADE & PURITY 10mM in DMSO

Synonyms

(2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-5-METHOXY-2-PHENYL-, (S)- | A874456 | Alpinetin,(S) | Q4735601 | (S)-7-Hydroxy-5-methoxy-2-phenylchroman-4-one | AKOS015896758 | n-Propylether | (2S)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Alpinein (-) - apinetin) is a natural flavonoid product isolated from cardamom, which can activate PPAR - γ and has anti-inflammatory and antibacterial activities. It has strong anti hepatoma and pancreatic cancer cell effects by inhibiting proliferation, regulating the expression of Bcl-2 family and XIAP, releasing cytochrome c and activating caspase.

Specifications

Sinónimos

(2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-5-METHOXY-2-PHENYL-, (S)- | A874456 | Alpinetin,(S) | Q4735601 | (S)-7-Hydroxy-5-methoxy-2-phenylchroman-4-one | AKOS015896758 | n-Propylether | (2S)

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528771543

Sorrisos canónicos

COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O

IUPAC Name

(2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one

InChIKey

QQQCWVDPMPFUGF-ZDUSSCGKSA-N

INCHI

1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1

SMILES isoméricas

COC1=CC(=CC2=C1C(=O)C[C@H](O2)C3=CC=CC=C3)O

Peso molecular

270.28

Reaxy-Rn

269371

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=269371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 5-O-methylated flavonoids
• Alternative Parents: Flavanones 7-hydroxyflavonoids Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Flavan - Chromone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.
• 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

Alvos associados (humanos)

FABP4 Tchem Fatty acid binding protein adipocyte (764 Activities)

Discover Target: FABP4

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 219 °C
• Peso molecular: 270.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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