Hydroxytyrosol acetate - 10mM in DMSO , CAS No.69039-02-7

CAS: 69039-02-7 Cat. No.: H425538 Fórmula: C₁₀H₁₂O₄ Peso molecular: 196.2

GRADE & PURITY 10mM in DMSO

Synonyms

UNII-4CYK1K4VJ1 | 4-(acetoxyethyl)-1,2-dihydroxybenzene | HYDROXY TYROSOL ALPHA-ACETATE | HYDROXYTYROSOL .ALPHA.-ACETATE | 4-(2-(ACETYLOXY)ETHYL)-1,2-BENZENEDIOL | Q27259419 | FT-0670207 | DTXSID30219108 | CCG-266553 | SCHEMBL5613913 | 3,4-Dihydroxyphenet

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Hydroxytyrosol acetate is an antioxidant comparable to Resveratrol. Hydrolysis by esterases converts hydroxytyrosol acetate into hydroxytyrosol, which is when it reaches full oxygen radical absorbance capacity (ORAC). Hydroxytyrosol ORAC values are 50% higher than resveratrol, 10-fold higher than L(+)-ascorbic acid (Prod. No. ALX-460-001) and 4-fold higher than (?)-epicatechin. Hydroxytyrosol acetate has also been shown to have anticancer and antiviral effects. Hydroxytyrosol acetate is a phenolic compound found in olive oil with antioxidant activity. Hydroxytyrosol acetate contributes to the protective effects against oxidative stress of virgin olive oil.

Specifications

Sinónimos

UNII-4CYK1K4VJ1 | 4-(acetoxyethyl)-1,2-dihydroxybenzene | HYDROXY TYROSOL ALPHA-ACETATE | HYDROXYTYROSOL .ALPHA.-ACETATE | 4-(2-(ACETYLOXY)ETHYL)-1,2-BENZENEDIOL | Q27259419 | FT-0670207 | DTXSID30219108 | CCG-266553 | SCHEMBL5613913 | 3,4-Dihydroxyphenet

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: 528776014
• Sorrisos canónicos: CC(=O)OCCC1=CC(=C(C=C1)O)O
• IUPAC Name: 2-(3,4-dihydroxyphenyl)ethyl acetate
• InChIKey: FGJGLFPNIZXRLV-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3
• SMILES isoméricas: CC(=O)OCCC1=CC(=C(C=C1)O)O
• Peso molecular: 196.2
• Reaxy-Rn: 5261852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5261852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols and derivatives
• Alternative Parents: Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosol derivative - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
• 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)

HeLa (62764 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Cytomegalovirus (1023 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D1.56 (Predicted)
• Ponto de ebulição (°C): ~355.9° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 113.69° C (Predicted)
• Peso molecular: 196.200 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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