ε-​Viniferin - ≥98% , CAS No.62218-08-0

CAS: 62218-08-0 Cat. No.: V649139 Fórmula: C₂₈H₂₂O₆ Peso molecular: 454.47 Número CE: 805-135-6 PubChem CID: 5281728

GRADE & PURITY ≥98%

Synonyms

1,3-BENZENEDIOL, 5-(2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)-3-BENZOFURANYL)-, (2R-(2.ALPHA.,3.BETA.,4(E)))- | MFCD12964987 | 5-(2,3-Dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-1,3-ben

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Visão geral

ε-Viniferin, the dimer of Resveratrol and isolated from Vitis vinifera , displays a potent inhibitory for all the CYP activities, with K i values from 0.5-20 μM. ε-Viniferin possesses potent antioxidant capacity

Form:Solid

IC50& Target:CYP2B6 3 μM (Ki, (BROD)) CYP1A2 5 μM (Ki, (EROD)) CYP3A4 10 μM (Ki, (TST)) CYP4A 15 μM (IC 50 , (LwOH)) CYP2E1 25 μM (IC 50 , (CHZ)) CYP2A6 60 μM (Ki, (COH))

Specifications

Sinónimos

1,3-BENZENEDIOL, 5-(2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)-3-BENZOFURANYL)-, (2R-(2.ALPHA.,3.BETA.,4(E)))- | MFCD12964987 | 5-(2,3-Dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-1,3-ben

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

ε-Viniferin, the dimer of Resveratrol and isolated from Vitis vinifera , displays a potent inhibitory for all the CYP activities, with K i values from 0.5-20 μM. ε-Viniferin possesses potent antioxidant capacity.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

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

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
• IUPAC Name: 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
• InChIKey: FQWLMRXWKZGLFI-YVYUXZJTSA-N
• INCHI: 1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
• SMILES isoméricas: C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
• CAS alternativo: 62218-08-0,253435-07-3
• PubChem CID: 5281728
• Termos de entrada MeSH: epsilon-viniferin;epsilon-viniferine
• Peso molecular: 454.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: 1-phenylcoumarans Stilbenes Styrenes Resorcinols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - 1-phenylcoumaran - Stilbene - Coumaran - Styrene - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• External Descriptors: Stilbenoid dimers, stilbenoid oligomers and bis(bibenzyl)s

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)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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A549 (127892 Activities)

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HFF (3142 Activities)

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Alvos associados (não humanos)

Escherichia coli (133304 Activities)

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Hepatitis C virus (23859 Activities)

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Influenza A virus (11224 Activities)

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Lasiodiplodia theobromae (193 Activities)

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ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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Diplodia seriata (145 Activities)

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Diplodia mutila (102 Activities)

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Neofusicoccum luteum (172 Activities)

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Botryosphaeria dothidea (71 Activities)

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Neofusicoccum parvum (61 Activities)

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Phaeoacremonium minimum (24 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 454.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 454.142 Da
• Monoisotopic Mass: 454.142 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 672.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1