Dihydromyricetin - analytical standard, ≥98% , CAS No.27200-12-0

CAS: 27200-12-0 Cat. No.: D101549 Fórmula: C₁₅H₁₂O₈ Peso molecular: 320.25 Número EC: 814-912-9

CALIDAD & PUREZA Analytical standard, ≥98%

Synonyms

(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|Dihydromyricetin (Ampeloptin)|(+)-Dihydromyricetin|Dihydromyricetin|dihydro-myricetin|DIHYDROMYRICETIN [INCI]|AMPELOPSIN [MI]|(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone|Flavanone, 3,3',4',5,5',7-hexahydroxy-|Dihydromyricetin (diH-Myr)|(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one|Dihydromyricetin - Ampeloptin|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one|(2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol|4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-|(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one|3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol|Myriceline spe|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2r,3r)-dihydromyricetin|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one|(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|Ampelopsin|Ampelopsin (flavanol)|1,2-Benzenediol, 4-chloro-; Pyrocatechol, 4-chloro- (6CI,7CI,8CI); 4-Chloro-1,2-benzenediol; 4-Chloro-1,2-dihydroxybenzene; 4-Chlorocatechol; 4-Chloropyrocatechol|Ampeloptin|Ampelopsin;Ampeloptin|(+)-Ampelopsin|4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | Dihydromyricetin (Ampeloptin) | (+)-Dihydromyricetin | Dihydromyricetin | dihydro-myricetin | DIHYDROMYRICETIN [INCI] | AMPELOPSIN [MI] | (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone | Flavanone, 3,3',4',5,5',7-hexahydroxy- | Dihydromyricetin (diH-Myr) Show more

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508812122

Sonrisas canónicas

C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O

IUPAC Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

KJXSIXMJHKAJOD-LSDHHAIUSA-N

INCHI

1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

Isómeros SMILES

C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O

WGK Alemania

3

Peso molecular

320.25

Reaxy-Rn

332335

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=332335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavans
        • Level5 Flavan-3-ols
          • Level6 Catechins
            • Level7 Epigallocatechins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Flavan-3-ols - Catechins
• Direct Parent: Epigallocatechins
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavanonols 7-hydroxyflavonoids Chromones Pyrogallols and derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Epigallocatechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Secondary alcohol - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.
• External Descriptors: Dihyroflavonols

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)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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SK-MEL-2 (46422 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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BT-549 (31254 Activities)

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SYNJ2 Tchem Synaptojanin-2 (76 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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C6 (2371 Activities)

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BV-2 (3710 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: +15.5 to +17.0 deg(C=0.9, methanol)
• Punto de fusión (°C): 248 °C
• Peso molecular: 320.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 320.053 Da
• Monoisotopic Mass: 320.053 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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