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

CAS: 27200-12-0 Cat. No.: D101549 Summenformel: C₁₅H₁₂O₈ Molekulargewicht: 320.25 EG-Nummer: 814-912-9

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

(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

Spezifikationen & Reinheit

analytical standard, ≥98%

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508812122

Kanonisches Lächeln

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

Isomere 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 Deutschland

3

Molekulargewicht

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
    • Klasse Flavonoids
      • Subclass Flavans
        • Ebene5 Flavan-3-ols
          • Ebene6 Catechins
            • Ebene7 Epigallocatechins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

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BT-549 (31254 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Spezifische Drehung [α]: +15.5 to +17.0 deg(C=0.9, methanol)
• Schmelzpunkt (°C): 248 °C
• Molekulargewicht: 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