Ozone
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Basic Info
Common Name | Ozone(F05489) |
2D Structure | |
Description | Ozone is a pale blue gas with a distinctively pungent smell. Ozone is formed from dioxygen by the action of ultraviolet light and also atmospheric electrical discharges. It is present in low concentrations throughout the Earth's atmosphere. In total, ozone makes up only 0.6 ppm of the atmosphere. In standard conditions, ozone is a pale blue gas that condenses at progressively cryogenic temperatures to a dark blue liquid and finally a violet-black solid. Ozone is a powerful oxidant (far more so than oxygen gas) and has many industrial and consumer applications related to oxidation. This same high oxidizing potential, however, causes ozone to damage mucus and respiratory tissues in animals, and also tissues in plants, above concentrations of about 100 ppb. Ozone's odor is sharp, reminiscent of chlorine, and detectable by many people at concentrations of as little as 10 ppb in air. Ozone, along with reactive forms of oxygen such as superoxide, singlet oxygen, hydrogen peroxide, and hypochlorite ions, is naturally produced by white blood cells. The largest use of ozone is in the preparation of pharmaceuticals, synthetic lubricants, and many other commercially useful organic compounds. It can also be used for bleaching substances and for killing microorganisms in air and water sources. Many municipal drinking water systems kill bacteria with ozone instead of the more common chlorine. |
FRCD ID | F05489 |
CAS Number | 10028-15-6 |
PubChem CID | 16206854 |
Formula | O3 |
IUPAC Name | trioxirane |
InChI Key | XQOAKYYZMDCSIA-UHFFFAOYSA-N |
InChI | InChI=1S/O3/c1-2-3-1 |
Canonical SMILES | O1OO1 |
Isomeric SMILES | O1OO1 |
Synonyms | Trioxirane 153851-84-4 Cyclic ozone Ozone, 11CI 1,2,3-Trioxacyclopropane ACMC-20n6u0 CTK0E7955 DTXSID00583328 |
Classifies | Predicted: Pollutant |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Inorganic compounds |
Superclass | Homogeneous non-metal compounds |
Class | Other non-metal organides |
Subclass | Other non-metal oxides |
Intermediate Tree Nodes | Not available |
Direct Parent | Other non-metal oxides |
Alternative Parents | |
Molecular Framework | Not available |
Substituents | Other non-metal oxide |
Description | This compound belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 47.997 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Complexity | 4.8 |
Monoisotopic Mass | 47.985 |
Exact Mass | 47.985 |
XLogP | 0.1 |
Formal Charge | 0 |
Heavy Atom Count | 3 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 1 |
ADMET
Model | Result | Probability |
---|---|---|
Absorption | ||
Blood-Brain Barrier | BBB+ | 0.9742 |
Human Intestinal Absorption | HIA+ | 0.9689 |
Caco-2 Permeability | Caco2+ | 0.5691 |
P-glycoprotein Substrate | Non-substrate | 0.8359 |
P-glycoprotein Inhibitor | Non-inhibitor | 0.9515 |
Non-inhibitor | 0.9966 | |
Renal Organic Cation Transporter | Non-inhibitor | 0.9417 |
Distribution | ||
Subcellular localization | Mitochondria | 0.5692 |
Metabolism | ||
CYP450 2C9 Substrate | Non-substrate | 0.8373 |
CYP450 2D6 Substrate | Non-substrate | 0.8752 |
CYP450 3A4 Substrate | Non-substrate | 0.7908 |
CYP450 1A2 Inhibitor | Non-inhibitor | 0.7640 |
CYP450 2C9 Inhibitor | Non-inhibitor | 0.8667 |
CYP450 2D6 Inhibitor | Non-inhibitor | 0.9415 |
CYP450 2C19 Inhibitor | Non-inhibitor | 0.8411 |
CYP450 3A4 Inhibitor | Non-inhibitor | 0.9855 |
CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9447 |
Excretion | ||
Toxicity | ||
Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9394 |
Non-inhibitor | 0.9819 | |
AMES Toxicity | AMES toxic | 0.5511 |
Carcinogens | Non-carcinogens | 0.6396 |
Fish Toxicity | Low FHMT | 0.9849 |
Tetrahymena Pyriformis Toxicity | High TPT | 0.5244 |
Honey Bee Toxicity | High HBT | 0.7499 |
Biodegradation | Not ready biodegradable | 0.6329 |
Acute Oral Toxicity | II | 0.7055 |
Carcinogenicity (Three-class) | Non-required | 0.4404 |
Model | Value | Unit |
---|---|---|
Absorption | ||
Aqueous solubility | -1.2002 | LogS |
Caco-2 Permeability | 1.3014 | LogPapp, cm/s |
Distribution | ||
Metabolism | ||
Excretion | ||
Toxicity | ||
Rat Acute Toxicity | 2.6883 | LD50, mol/kg |
Fish Toxicity | 2.2127 | pLC50, mg/L |
Tetrahymena Pyriformis Toxicity | -0.6040 | pIGC50, ug/L |
References
Title | Journal | Date | Pubmed ID |
---|---|---|---|
Effect of ozone treatment on the quality of grain products. | Food Chem | 2018 Oct 30 | 29853388 |
Aflatoxin in foodstuffs: Occurrence and recent advances in decontamination. | Food Res Int | 2018 Nov | 30195548 |
Ozone treatment to reduce deoxynivalenol (DON) and zearalenone (ZEN) contamination in wheat bran and its impact on nutritional quality. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018 Jun | 29377761 |
Detection of NEO in muskmelon fruits inoculated with Fusarium sulphureum and its control by postharvest ozone treatment. | Food Chem | 2018 Jul 15 | 29548441 |
In vivo toxicity assessment of aflatoxin B<sub>1</sub>-contaminated corn after ozone degradation. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018 Feb | 29058540 |
Reduction of Salmonella and Shiga toxin-producing Escherichia coli on alfalfa seeds and sprouts using an ozone generating system. | Int J Food Microbiol | 2018 Aug 23 | 30199736 |
Effect of gaseous ozone treatments on DON, microbial contaminants and technological parameters of wheat and semolina. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018 Apr | 29279049 |
Sterilization of silicone-based hydrogels for biomedical application using ozone gas: Comparison with conventional techniques. | Mater Sci Eng C Mater Biol Appl | 2017 Sep 1 | 28575999 |
Innovative technologies to manage aflatoxins in foods and feeds and the profitability of application - A review. | Food Control | 2017 Jun | 28701823 |
Ozonation of whole wheat flour and wet milling effluent: Degradation of deoxynivalenol (DON) and rheological properties. | J Environ Sci Health B | 2017 Jul 3 | 28541097 |
In vivo toxicity assessment of deoxynivalenol-contaminated wheat after ozone degradation. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2017 Jan | 27796167 |
Global Warming and Its Health Impact. | Int J Occup Environ Med | 2017 Jan | 28051192 |
Ozone Formation Induced by the Impact of Reactive Bromine and Iodine Species on Photochemistry in a Polluted Marine Environment. | Environ Sci Technol | 2017 Dec 19 | 29112383 |
Structures of Degradation Products and Degradation Pathways of Aflatoxin B<sub>1</sub> by High-Voltage Atmospheric Cold Plasma (HVACP) Treatment. | J Agric Food Chem | 2017 Aug 2 | 28643515 |
Improving pollutants removal by microalgae Chlorella PY-ZU1 with 15% CO2 from undiluted anaerobic digestion effluent of food wastes with ozonation pretreatment. | Bioresour Technol | 2016 Sep | 27243605 |
Detoxification of zearalenone and ochratoxin A by ozone and quality evaluation of ozonised corn. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2016 Nov | 27599389 |
Efficacy of Ozonation Treatments of Smoked Fish for Reducing Its Benzo[a]pyrene Concentration and Toxicity. | J Food Prot | 2016 Dec | 28221959 |
Effect of Ozone Treatment on Deoxynivalenol and Wheat Quality. | PLoS One | 2016 | 26812055 |
Acute and recent air pollution exposure and cardiovascular events at labour and delivery. | Heart | 2015 Sep | 26105036 |
Effect of ultraviolet radiation A and B on growth and mycotoxin production by Aspergillus carbonarius and Aspergillus parasiticus in grape and pistachio media. | Fungal Biol | 2015 Jan | 25601150 |
Targets
- General Function:
- Temperature-gated cation channel activity
- Specific Function:
- Receptor-activated non-selective cation channel involved in detection of pain and possibly also in cold perception and inner ear function (PubMed:25389312, PubMed:25855297). Has a central role in the pain response to endogenous inflammatory mediators and to a diverse array of volatile irritants, such as mustard oil, cinnamaldehyde, garlic and acrolein, an irritant from tears gas and vehicule exhaust fumes (PubMed:25389312, PubMed:20547126). Is also activated by menthol (in vitro)(PubMed:25389312). Acts also as a ionotropic cannabinoid receptor by being activated by delta(9)-tetrahydrocannabinol (THC), the psychoactive component of marijuana (PubMed:25389312). May be a component for the mechanosensitive transduction channel of hair cells in inner ear, thereby participating in the perception of sounds. Probably operated by a phosphatidylinositol second messenger system (By similarity).
- Gene Name:
- TRPA1
- Uniprot ID:
- O75762
- Molecular Weight:
- 127499.88 Da
References
- Nilius B, Prenen J, Owsianik G: Irritating channels: the case of TRPA1. J Physiol. 2011 Apr 1;589(Pt 7):1543-9. doi: 10.1113/jphysiol.2010.200717. Epub 2010 Nov 15. [21078588 ]