Amentoflavona - Moligand™, ≥99%(HPLC) , CAS No.1617-53-4

CAS: 1617-53-4 Cat. No.: A123660 Fórmula: C₃₀H₁₈O₁₀ Peso molecular: 538.46 Beilstein Registry Number: 380244

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

CCG-269950 | Q-100192 | AKOS015896819 | BIDD:PXR0028 | SCHEMBL312563 | Amentoflavone | -hydroxyphenyl)-5,7-dihydroxy-2- | BCP13255 | GINKGETIN, DIDEMETHYL- | BDBM429466 | med.21724, Compound 138 | SR-01000721725-2 | 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydr

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Biflavonoide con actividad antiinflamatoria, antivírica y quimiopreventiva del cáncer. Inhibe la vascularización de los tumores bloqueando la actividad de los VEGF angiogénicos. Bloquea la inducción de COX-2 y regula al alza PPAR-γ. Es un modulador negativo del receptor GABAA en el sitio de unión de la benzodiazepina.

Specifications

Sinónimos

CCG-269950 | Q-100192 | AKOS015896819 | BIDD:PXR0028 | SCHEMBL312563 | Amentoflavone | -hydroxyphenyl)-5,7-dihydroxy-2- | BCP13255 | GINKGETIN, DIDEMETHYL- | BDBM429466 | med.21724, Compound 138 | SR-01000721725-2 | 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydr

Especificaciones y pureza

Moligand™, ≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Biflavonoide con actividad antiinflamatoria, antivírica y quimiopreventiva del cáncer. Inhibe la vascularización de los tumores bloqueando la actividad de los VEGF angiogénicos. Bloquea la inducción de COX-2 y regula al alza PPAR-γ. Es un modulador negati

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Grado

Moligand™

Pureza

≥99%(HPLC)

Nombres e identificadores

Pubchem Sid

504763361

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763361

Sonrisas canónicas

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

IUPAC Name

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

InChIKey

YUSWMAULDXZHPY-UHFFFAOYSA-N

INCHI

1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H

Isómeros SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

WGK Alemania

3

Peso molecular

538.46

Beilstein

380244

Reaxy-Rn

380244

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=380244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Biflavonoids and polyflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Biflavonoids and polyflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Biflavonoids and polyflavonoids
• Alternative Parents: Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Chromones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bi- and polyflavonoid skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.
• External Descriptors: Biflavonoids and polyflavonoids

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)

PGF Tclin Placenta growth factor (1 Activities)

Discover Target: PGF

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

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)

Discover Target: PARP1

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

VEGFA Tclin Vascular endothelial growth factor A (1 Activities)

Discover Target: VEGFA

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

OPRD1 Tclin Delta-type opioid receptor (2 Activities)

Discover Target: OPRD1

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

Propiedades químicas y físicas

• Solubilidad: ≥26.9 mg/mL in DMSO；insoluble in H2O；≥8.75 mg/mL in EtOH
• Peso molecular: 538.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 538.09 Da
• Monoisotopic Mass: 538.09 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1050.000
• 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