Sevoflurane (CED0001649)

Record Information
Version1.0
Creation Date2009-07-21 20:28:42 UTC
Update Date2026-05-14 16:58:58 UTC
SynCED IDCED0001649
Secondary Accession Numbers
  • CHEM002383
  • T3D3029
Identification
Common NameSevoflurane
ClassSmall Molecule
Description
Sevoflurane (C4H3F7O) is an exogenous organic compound with an average molecular weight of 200.05 g/mol. It exists as a liquid at room temperature. Sevoflurane belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. Its roles and uses include application as an inhalation anaesthetic, a platelet aggregation inhibitor, and a central nervous system depressant. It is found in 14 recorded sources, including anesthetics in healthcare, pharmaceuticals and veterinary products; food preservation in food, food processing and cookware; non-electric simulated smoking devices, soap detergents, and tobacco smoke filters in household cleaning and consumer products; and electrical and electronic equipment such as antennas, colour television systems, conductors or conductive bodies characterised by the conductive materials, electric switches, and electrically stimulated smoking devices. Recorded exposure routes include nasal and respiratory pathways, with inhalation supported by literature (PMC11894927 , PMC4310588 ). Sevoflurane interacts with 30 recorded protein targets, including Calcium-transporting ATPase type 2C member 1 (ATP2C1), NADH-ubiquinone oxidoreductase chain 1 (MT-ND1), Glycine receptor subunit alpha-1 (GLRA1), and Glutamate receptor 1 (GRIA1). It acts as an activator, agonist, or inhibitor of Gamma-aminobutyric acid receptor subunits pi (GABRP), delta (GABRD), beta-1 (GABRB1), gamma-2 (GABRG2), and 19 other proteins. Sevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. It activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. Additionally, it appears to bind the D subunit of ATP synthase and NADH dehydogenase, and binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Contaminant Type
  • Anesthetic, Inhalation
  • Drug
  • Ether
  • Human Neurotoxin
  • Metabolite
  • Organic Compound
  • Organofluoride
  • Platelet Aggregation Inhibitor
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propaneChEBI
SevofluranChEBI
SevofluranoChEBI
SevofluranumChEBI
UltaneKegg
Fluoromethyl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl etherHMDB
SevoraneHMDB
Fluoromethyl hexafluoroisopropyl etherHMDB
Chemical FormulaC4H3F7O
Average Molecular Mass200.055 g/mol
Monoisotopic Mass200.007 g/mol
CAS Registry Number28523-86-6
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
Traditional Namesevoflurane
SMILESFCOC(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChI KeyDFEYYRMXOJXZRJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative Parents
Substituents
  • Dialkyl ether
  • Hydrocarbon derivative
  • Organofluoride
  • Organohalogen compound
  • Alkyl halide
  • Alkyl fluoride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateLiquid
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point< 25°C
Boiling Point58.5°C
SolubilityVery slightly soluble
Predicted Properties
PropertyValueSource
Water Solubility1.48 g/LALOGPS
logP2.44ALOGPS
logP2.27ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)15.07ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity23.3 m³·mol⁻¹ChemAxon
Polarizability9.83 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0f89-6900000000-783322b6f193100b0153Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0390000000-1ccd3b88b47c4b33b79aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0190000000-c0673fdbd2394f328534Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f89-0900000000-ab1dc0054503a1957d1fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-3b178265498ce71792eeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-a3aa8e896a7c3b9972f1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-11ad4425fe274622c1c9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-cb98e2a5a8a449a66f97Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-cb98e2a5a8a449a66f97Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0920000000-386a4844069d263921bfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-c1b985d8da627d6f0c10Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-c1b985d8da627d6f0c10Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-c1b985d8da627d6f0c10Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
10.8 g/kg RatLD50Not AvailableexperimentalNot Available1
49881.0 ppm/hr RatLC50InhalationexperimentalNot Available1
1377.0 Log mg/kg [770:2400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicitySevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentIn the event of overdosage, or what may appear to be overdosage, the following action should be taken: discontinue administration of sevoflurane, maintain a patent airway, initiate assisted or controlled ventilation with oxygen, and maintain adequate cardiovascular function. (3)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?increaseNot AvailablePMC11427602
cognitive impairmentAssociated With?Not AvailableNot AvailablePMC12336192 , PMC12336192
deliriumAssociated With?Not AvailableA disorder characterized by the acute and sudden development of confusion, illusions, movement changes, inattentiveness, agitation, and hallucinations. Usually, it is a reversible condition. (NCI CTCAE)PMC12336192
comaAssociated With?Not AvailableA state of profound unconsciousness associated with markedly depressed cerebral activity. Causes include central nervous system damage, intoxication, and metabolic abnormalities.PMC13434745
Toxic encephalopathyAssociated With?Not AvailableNot AvailablePMC10486742 , PMC12336192
injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
MortalityAssociated With?Not AvailableNot AvailablePMC11476523
gliomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
NeuroinflammationAssociated With?Not AvailableNot AvailablePMC12336192 , PMC12336192
AnesthesiaAssociated With?Not AvailableNot AvailablePMC12919125 , PMC3285257
AnesthesiaNot AvailableNot AvailableNot AvailablePMC2638116
Mental deteriorationAssociated With?Not AvailableNot AvailablePMC12336192
ischemia reperfusion injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
Anesthesia, GeneralNot AvailableNot AvailableNot AvailablePMC3155948 , PMC12355948
Anesthesia, GeneralAssociated With?Not AvailableNot AvailablePMC4342307
pain agnosiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
HypnosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
Cognitive DysfunctionAssociated With?Not AvailableNot AvailablePMC12336192
amnestic disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
amnestic disorderAssociated With?Not AvailableNot AvailablePMC13434745
AkinesiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC12284193
abnormal behaviorAssociated With?Not AvailableNot AvailablePMC12336192
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000369Anesthetics?Anesthetics are synthetic chemicals used to induce loss of sensation or consciousness in patients undergoing medical procedures.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000509Colour Television Systems?Colour television systems contain various synthetic chemicals that can lead to environmental contamination.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000667Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.Fire suppression systems & agentsPubChem
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00800Soybean OilAgriculture & land managementPMC4342307
CEDs02255WaterAquatic systems & sedimentsPMC3155948 , PMC3285257
CEDs02589AirAir, dust & atmospheric transportPMC8702260 , PMC7018333
CEDs02590DustAir, dust & atmospheric transportPMC6033952
CEDs02591AtmosphereAir, dust & atmospheric transportPMC12255364 , PMC13456389
CEDs02603AtmosphericAir, dust & atmospheric transportPMC13427921
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.217 Low confidence
Statistical Significance
0.3619
Supporting Reference Compounds
46
E-value
2817.21
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.19 Low confidence
Statistical Significance
0.5326
Supporting Reference Compounds
76
E-value
4146.41
Monoacylglycerol lipase ABHD6 structureClick to view 3D structureMonoacylglycerol lipase ABHD6Q9BV23HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.19 Low confidence
Statistical Significance
0.2983
Supporting Reference Compounds
25
E-value
2321.93
Platelet-activating factor acetylhydrolase structureClick to view 3D structurePlatelet-activating factor acetylhydrolaseQ13093HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.18 Low confidence
Statistical Significance
0.1229
Supporting Reference Compounds
10
E-value
957.0
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.178 Low confidence
Statistical Significance
0.3507
Supporting Reference Compounds
34
E-value
2730.48
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.239 Low confidence
Statistical Significance
0.9614
Supporting Reference Compounds
167
E-value
7484.42
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.239 Low confidence
Statistical Significance
0.9535
Supporting Reference Compounds
141
E-value
7422.85
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.239 Low confidence
Statistical Significance
0.9578
Supporting Reference Compounds
173
E-value
7456.09
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.239 Low confidence
Statistical Significance
0.9422
Supporting Reference Compounds
129
E-value
7335.34
Click to view 3D structureVoltage-gated potassium channel KCNC1P25122Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.143 Low confidence
Statistical Significance
0.0852
Supporting Reference Compounds
1
E-value
662.964
Cathepsin F structureClick to view 3D structureCathepsin FQ9UBX1HumansPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.239 Low confidence
Statistical Significance
0.5788
Supporting Reference Compounds
15
E-value
4506.15
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.131
Applicability Domain
0.19 Low confidence
Statistical Significance
0.979
Supporting Reference Compounds
106
E-value
7621.21
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.13
Applicability Domain
0.167 Low confidence
Statistical Significance
0.999
Supporting Reference Compounds
1130
E-value
7777.22
Click to view 3D structureOrnithine decarboxylaseP09057Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.161 Low confidence
Statistical Significance
2.20e-04
Supporting Reference Compounds
3
E-value
1.71268
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.143 Low confidence
Statistical Significance
0.0351
Supporting Reference Compounds
2
E-value
273.562
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.125 Low confidence
Statistical Significance
0.4974
Supporting Reference Compounds
1
E-value
3871.91
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9993
Supporting Reference Compounds
1498
E-value
7779.78
Receptor-type tyrosine-protein phosphatase zeta structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase zetaP23471HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.132 Low confidence
Statistical Significance
0.09
Supporting Reference Compounds
2
E-value
700.799
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.124
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
823
E-value
7778.46
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.123
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9935
Supporting Reference Compounds
297
E-value
7734.48
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9899
Supporting Reference Compounds
203
E-value
7706.61
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.143 Low confidence
Statistical Significance
0.89
Supporting Reference Compounds
40
E-value
6928.66
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.121 Low confidence
Statistical Significance
0.0092
Supporting Reference Compounds
1
E-value
71.5434
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.143 Low confidence
Statistical Significance
0.0417
Supporting Reference Compounds
4
E-value
324.709
Click to view 3D structureTryptophan 5-hydroxylase 1P09810Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.127 Low confidence
Statistical Significance
0.4757
Supporting Reference Compounds
2
E-value
3703.6
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansKnownNot Available
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansKnownNot Available
ATP synthase F(1) complex subunit delta, mitochondrial structureClick to view 3D structureATP synthase F(1) complex subunit delta, mitochondrialP30049HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Calcium-transporting ATPase type 2C member 1 structureClick to view 3D structureCalcium-transporting ATPase type 2C member 1P98194HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Glycine receptor subunit alpha-1 structureClick to view 3D structureGlycine receptor subunit alpha-1P23415HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
NADH-ubiquinone oxidoreductase chain 1 structureClick to view 3D structureNADH-ubiquinone oxidoreductase chain 1P03886HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Click to view 3D structurePotassium voltage-gated channel subfamily A member 1Q09470HumansKnownSevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca2+ activated potassium channel, the glutamate receptor, and the glycine receptor.
Concentrations
Not Available
External Links
DrugBank IDDB01236
HMDB IDHMDB0015366
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSevoflurane
Chemspider ID5017
ChEBI ID9130
PubChem Compound ID5206
Kegg Compound IDC07520
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

Ross C. Terrell, “Method for the preparation of sevoflurane.” U.S. Patent US5969193, issued December, 1979.

MSDSLink
General References
  1. Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M: DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. [PubMed: 18048412]
  2. Drugs.com - http://www.drugs.com/cons/Sevoflurane.html
  3. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/