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

CAS: 69039-02-7 Cat. No.: H425538 Molecular Weight: 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

Overview

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

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(=O)OCCC1=CC(=C(C=C1)O)O
• Molecular Weight: 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
    • Class Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

HeLa (62764 Activities)

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Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

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Human alphaherpesvirus 2 (4932 Activities)

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Cytomegalovirus (1023 Activities)

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Rattus norvegicus (775804 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Echovirus E9 (43 Activities)

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Coxsackievirus B3 (1096 Activities)

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Human adenovirus 2 (239 Activities)

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Influenza A virus (11224 Activities)

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Human adenovirus 5 (897 Activities)

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Vero (26788 Activities)

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Human poliovirus 1 strain Sabin (65 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.56 (Predicted)
• Boil Point(°C): ~355.9° C at 760 mmHg (Predicted)
• Melt Point(°C): 113.69° C (Predicted)
• Molecular Weight: 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