Propofol (CED0001105)

Record Information
Version1.0
Creation Date2009-07-21 20:27:43 UTC
Update Date2026-05-14 16:49:47 UTC
SynCED IDCED0001105
Secondary Accession Numbers
  • CHEM002280
  • T3D2900
Identification
Common NamePropofol
ClassSmall Molecule
Description
Propofol (C12H18O) is an exogenous liquid with an average molecular weight of 178.27 g/mol. Propofol belongs to the cumenes, a subclass of benzene and substituted derivatives within the organic compounds. It functions as an intravenous anaesthetic, sedative, antiemetic, and anticonvulsant, as well as a chemical radical scavenger. Its action involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid (GABA) through GABA-A receptors. Recorded protein targets include albumin (ALB), fatty-acid amide hydrolase 1 (FAAH), gamma-aminobutyric acid receptor subunit alpha-1 (GABRA1), sodium channel protein type 2 subunit alpha (SCN2A), sodium channel protein type 4 subunit alpha (SCN4A), and is a positive allosteric modulator of gamma-aminobutyric acid receptor subunit beta-2 (GABRB2) and beta-3 (GABRB3), among 16 other proteins. The compound has been detected in the liver and kidney. It is found in 20 recorded sources, including anesthetics within healthcare, pharmaceuticals and veterinary products; food contact materials and food preservation within food, food processing and cookware; drinking water; and various household cleaning and consumer products, such as soap detergents, perfumes within detergents and soaps, and smoking requisites. It is also found in electrical and electronic equipment, including electrodes, fixed capacitors, and electrically stimulated smoking devices. Recorded exposure routes include oral, topical, intravenous, touch, and inhalation. Health effects associated with propofol include hypotension (decrease) (PMC12917986 ) and delirium (PMC12917986 ).
Contaminant Type
  • Anesthetic, Intravenous
  • Anticonvulsant
  • Antiemetic
  • Drug
  • Free Radical Scavenger
  • Human Neurotoxin
  • Hypnotic and Sedative
  • Metabolite
  • Organic Compound
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
2,6-Bis(1-methylethyl)phenolChEBI
2,6-DiisopropylphenolChEBI
DiprivanChEBI
DisoprivanChEBI
DisoprofolChEBI
PropofolumChEBI
RapinovetChEBI
DiisopropylphenolHMDB
AstraZeneca brand OF propofolHMDB
Propofol abbottHMDB
RecofolHMDB
2,6 DiisopropylphenolHMDB
Juste brand OF propofolHMDB
Pisa brand OF propofolHMDB
Propofol-lipuroHMDB
Schering brand OF propofolHMDB
Alpha Brand OF propofolHMDB
FresofolHMDB
Parnell brand OF propofolHMDB
Propofol roviHMDB
Zeneca brand OF propofolHMDB
Abbott brand OF propofolHMDB
AquafolHMDB
Astra brand OF propofolHMDB
Braun brand OF propofolHMDB
Curamed brand OF propofolHMDB
Fresenius brand OF propofolHMDB
Fresenius kabi brand OF propofolHMDB
IvofolHMDB
Propofol freseniusHMDB
Propofol MCTHMDB
Rovi brand OF propofolHMDB
Chemical FormulaC12H18O
Average Molecular Mass178.271 g/mol
Monoisotopic Mass178.136 g/mol
CAS Registry Number2078-54-8
IUPAC Name2,6-bis(propan-2-yl)phenol
Traditional Namepropofol
SMILESCC(C)C1=CC=CC(C(C)C)=C1O
InChI IdentifierInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChI KeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassCumenes
Direct ParentCumenes
Alternative Parents
Substituents
  • Phenylpropane
  • Cumene
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue Locations
  • Kidney
  • Liver
Applications
Biological Roles
Chemical Roles
Organoleptic Effects
  • bitter taste ?
Physical Properties
StateLiquid
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point18°C
Boiling Point256°C
Solubility124 mg/L
Predicted Properties
PropertyValueSource
Water Solubility0.16 g/LALOGPS
logP3.81ALOGPS
logP4.16ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)10.98ChemAxon
pKa (Strongest Basic)-5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity56.42 m³·mol⁻¹ChemAxon
Polarizability21.61 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-01t9-4900000000-9238ef924bbbfe181bdcNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0079-8590000000-6ada855df5d0fd97f0b7Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-bf525942be4ead264eceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-3ab0d6afaf938a81d3ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-9e57c7a18ce111c12c63Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-40f0918750264d7e34e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-3900000000-fa9d883374aeb7d58af5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-9500000000-08cc06244cce31efd090Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-d85c9325119ea81302f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-d81a7f98827c18689c1dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1900000000-40cc01d9032f866dffc1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-3900000000-e19ef26e49a6f11e7a9cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1900000000-41fb115d031fb4201636Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002f-9300000000-b212a8d5755ad08fa845Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-1c420c1b8167732abdd0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-585908487fc3aed582c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02ta-8900000000-f5810de472ff4197dc17Not AvailableView Spectrum
MSMS Spectrumsplash10-03di-2900000000-52d81dde2dccf378a450Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1204.0 Log mg/kg [680:2100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityThe action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid (GABA) through GABA-A receptors. IV LD50=53 mg/kg (mice), 42 mg/kg (rats). Oral LD50 (as a solution in soybean oil)=1230 mg/kg (mice), 600 mg/kg (rats)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsAside from the hypotension (mainly through vasodilatation) and transient apnea following induction doses, one of propofol's most frequent side effects is pain on injection, especially in smaller veins. A more serious but rare side effect is dystonia.
TreatmentIf overdosage occurs, Propofol administration should be discontinued immediately. Overdosage is likely to cause cardiorespiratory depression. Respiratory depression should be treated by artificial ventilation with oxygen. Cardiovascular depression may require repositioning of the patient by raising the patient's legs, increasing the flow rate of intravenous fluids, and administering pressor agents and/or anticholinergic agents. (13)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11122955
drowsinessAssociated With?Not AvailableA state of sleepiness or lethargy.PMC5726642
painHas Therapeutic Effect OnNot AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC11122955
painNot AvailableNot AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC3197257
nauseaAssociated With?Not AvailableA disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)PMC5726642
vomitingAssociated With?Not AvailableA disorder characterized by the reflexive act of ejecting the contents of the stomach through the mouth. (NCI CTCAE)PMC5726642
seizureNot AvailableNot AvailableNot AvailablePMC3197257
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)PMC12917986
deliriumNot AvailableNot 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)PMC3197257
hypotensionAssociated With?decreaseA disorder characterized by a blood pressure that is below the normal expected for an individual in a given environment. (NCI CTCAE)PMC12917986
dyspneaNot AvailableNot AvailableNot AvailablePMC3197257
bradycardiaAssociated With?decreaseNot AvailablePMC5336780
agitationNot AvailableNot AvailableA disorder characterized by a state of restlessness associated with unpleasant feelings of irritability and tension. (NCI CTCAE)PMC3197257
goiterAssociated With?increaseNot AvailablePMC7729980
anxiety disorderNot AvailableNot AvailableNot AvailablePMC3197257
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC6837468
convulsionAssociated With?Not AvailableNot AvailablePMC10831359
SepsisAssociated With?Not AvailableNot AvailablePMC11951549
VasodilationAssociated With?Not AvailableNot AvailablePMC11357952
ApneaAssociated With?increaseNot AvailablePMC8690956
AnesthesiaAssociated With?Not AvailableNot AvailablePMC12919125
AnesthesiaNot AvailableNot AvailableNot AvailablePMC4936777 , PMC11122955
hypotensive disorderAssociated With?decreaseNot AvailablePMC12917986 , PMC5336780
hypotensive disorderAssociated With?Not AvailableNot AvailablePMC7223859 , PMC8995981
hypotensive disorderAssociated With?increaseNot AvailablePMC8848763
ischemia reperfusion injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC6837468
Abdominal distentionAssociated With?Not AvailableNot AvailablePMC5726642
Anesthesia, GeneralNot AvailableNot AvailableNot AvailablePMC10831359 , PMC6727218
HypnosisAssociated With?Not AvailableNot AvailablePMC4936777 , PMC4936777
HypnosisAssociated With?increaseNot AvailablePMC4936777
DehydrationHas Therapeutic Effect OnNot AvailableNot AvailablePMC10600099
amnestic disorderNot AvailableNot AvailableNot AvailablePMC3197257
LaryngospasmNot AvailableNot AvailableNot AvailablePMC7121951
HypoxemiaAssociated With?Not AvailableNot AvailablePMC3607964
Deep SedationNot AvailableNot AvailableNot AvailablePMC12813650
Drug FeverAssociated With?Not AvailableNot AvailablePMC9985525
Postoperative ComplicationsAssociated With?decreaseNot AvailablePMC7968496
AspirationAssociated With?increaseNot AvailablePMC12888292
Procedural SedationNot AvailableNot AvailableNot AvailablePMC13020656 , PMC4581832
Postoperative Nausea and VomitingAssociated With?decreaseNot AvailablePMC13456389
Systemic Inflammatory Response SyndromeAssociated With?Not AvailableNot AvailablePMC9934369
Propofol Infusion SyndromeAssociated With?Not AvailableNot AvailablePMC11357952 , PMC8840326
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
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC6501679
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9091703
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000369Anesthetics?Anesthetics are synthetic chemicals used to induce loss of sensation or consciousness in patients undergoing medical procedures.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.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
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
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000523Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.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
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
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
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
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.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
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
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
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.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
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
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
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.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
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
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
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
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
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.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
CEDs01148MilkFood, food processing & cookwarePMC13318911
CEDs01194CheeseFood, food processing & cookwarePMC12057542 , PMC12057542
CEDs01267Egg YolkFood, food processing & cookwarePMC11343058
CEDs01804Glass BottlePackagingPMC3690162
CEDs02125Hazardous WasteWaste management, landfill & incinerationPMC13427921
CEDs02255WaterAquatic systems & sedimentsPMC11387708 , PMC6501679
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC12255364 , PMC13456389
CEDs02334Pond WaterAquatic systems & sedimentsPMC4936777
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC9919264 , PMC9091703
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC9091703
CEDs03021Wastewater Treatment PlantWastewater, sanitation & biosolidsPMC12547285 , PMC9091703
CEDs03053Hospital WastewaterWastewater, sanitation & biosolidsPMC12255364
CEDs03059Pharmaceutical WastewaterWastewater, sanitation & biosolidsPMC9091703
CEDs03064Wastewater SystemsWastewater, sanitation & biosolidsPMC13427921
Pathways
3 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureUDP-glucuronosyltransferase 1A9O60656HumansKnownNot Available
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
1.0
Statistical Significance
7.00e-05
Supporting Reference Compounds
47
E-value
0.544945
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
1.0
Statistical Significance
0.0052
Supporting Reference Compounds
451
E-value
40.8708
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
1.0
Statistical Significance
0.0014
Supporting Reference Compounds
136
E-value
10.8989
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
1.0
Statistical Significance
0.0093
Supporting Reference Compounds
686
E-value
72.789
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
1.0
Statistical Significance
0.0165
Supporting Reference Compounds
823
E-value
128.763
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
1.0
Statistical Significance
0.0041
Supporting Reference Compounds
104
E-value
32.2296
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.381
Statistical Significance
0.0447
Supporting Reference Compounds
472
E-value
347.83
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.381
Statistical Significance
0.1383
Supporting Reference Compounds
1301
E-value
1076.65
Click to view 3D structureReverse transcriptaseQ06347Human immunodeficiency virus 2Predicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.29 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.381
Statistical Significance
0.0604
Supporting Reference Compounds
407
E-value
470.365
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.318
Statistical Significance
0.063
Supporting Reference Compounds
332
E-value
490.372
Sterol O-acyltransferase 1 structureClick to view 3D structureSterol O-acyltransferase 1P35610HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.325
Statistical Significance
0.0045
Supporting Reference Compounds
36
E-value
34.9543
Click to view 3D structureCarbonic anhydraseQ2PCB5Dicentrarchus labraxPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.381
Statistical Significance
9.00e-04
Supporting Reference Compounds
9
E-value
7.00643
Click to view 3D structureAcyl-CoA:cholesterol acyltransferaseQ95214Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.333
Statistical Significance
0.0015
Supporting Reference Compounds
10
E-value
11.366
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0587
Supporting Reference Compounds
203
E-value
456.741
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.367
Statistical Significance
0.0592
Supporting Reference Compounds
165
E-value
460.712
Click to view 3D structureSterol O-acyltransferase 1O70536Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.302
Statistical Significance
0.0024
Supporting Reference Compounds
13
E-value
18.9952
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.27 Low confidence
Statistical Significance
0.14
Supporting Reference Compounds
376
E-value
1090.2
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.367
Statistical Significance
0.2801
Supporting Reference Compounds
553
E-value
2180.95
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.31
Statistical Significance
0.028
Supporting Reference Compounds
63
E-value
218.367
Click to view 3D structureTrace amine-associated receptor 1Q8HZ64Macaca mulattaPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.31
Statistical Significance
0.0014
Supporting Reference Compounds
8
E-value
10.5875
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.367
Statistical Significance
0.0066
Supporting Reference Compounds
39
E-value
51.2248
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1293
Supporting Reference Compounds
298
E-value
1006.82
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.367
Statistical Significance
0.1267
Supporting Reference Compounds
185
E-value
986.427
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.381
Statistical Significance
0.1793
Supporting Reference Compounds
400
E-value
1396.07
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A8Q9HAW9HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A10Q9HAW8HumansKnownNot Available
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansKnownThe action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid(GABA) through GABA-A receptors.
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansKnownThe action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid(GABA) through GABA-A receptors.
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansKnownNot Available
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit beta-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-2P47870HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit beta-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-3P28472HumansKnownNot Available
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownThe action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid(GABA) through GABA-A receptors.
Sodium channel protein type 2 subunit alpha structureClick to view 3D structureSodium channel protein type 2 subunit alphaQ99250HumansKnownNot Available
Sodium channel protein type 4 subunit alpha structureClick to view 3D structureSodium channel protein type 4 subunit alphaP35499HumansKnownNot Available
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB00818
HMDB IDHMDB0014956
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPropofol
Chemspider ID4774
ChEBI ID44915
PubChem Compound ID4943
Kegg Compound IDC07523
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

John R. Carpenter, “Propofol-based anesthetic and method of making same.” U.S. Patent US6150423, issued May, 1977.

MSDSLink
General References
  1. Restrepo JG, Garcia-Martin E, Martinez C, Agundez JA: Polymorphic drug metabolism in anaesthesia. Curr Drug Metab. 2009 Mar;10(3):236-46. [PubMed: 19442086]
  2. Gunther S, McMillan PJ, Wallace LJ, Muller S: Plasmodium falciparum possesses organelle-specific alpha-keto acid dehydrogenase complexes and lipoylation pathways. Biochem Soc Trans. 2005 Nov;33(Pt 5):977-80. [PubMed: 16246025]
  3. Barann M, Urban B, Stamer U, Dorner Z, Bonisch H, Bruss M: Effects of tramadol and O-demethyl-tramadol on human 5-HT reuptake carriers and human 5-HT3A receptors: a possible mechanism for tramadol-induced early emesis. Eur J Pharmacol. 2006 Feb 15;531(1-3):54-8. Epub 2006 Jan 19. [PubMed: 16427041]
  4. Vasile B, Rasulo F, Candiani A, Latronico N: The pathophysiology of propofol infusion syndrome: a simple name for a complex syndrome. Intensive Care Med. 2003 Sep;29(9):1417-25. Epub 2003 Aug 6. [PubMed: 12904852]
  5. Ke JJ, Zhan J, Feng XB, Wu Y, Rao Y, Wang YL: A comparison of the effect of total intravenous anaesthesia with propofol and remifentanil and inhalational anaesthesia with isoflurane on the release of pro- and anti-inflammatory cytokines in patients undergoing open cholecystectomy. Anaesth Intensive Care. 2008 Jan;36(1):74-8. [PubMed: 18326136]
  6. Hong JY, Kang YS, Kil HK: Anaesthesia for day case excisional breast biopsy: propofol-remifentanil compared with sevoflurane-nitrous oxide. Eur J Anaesthesiol. 2008 Jun;25(6):460-7. doi: 10.1017/S026502150800375X. Epub 2008 Feb 26. [PubMed: 18298873]
  7. Takahashi O, Hiraga K: 4-tert-butyl-2,6-diisopropylphenol: Another phenol inducing hemorrhage in rats. Toxicol Lett. 1980 Feb;5(2):147-50. [PubMed: 7466839]
  8. Wikipedia. Barium titanate. Last Updated 27 April 2009. - http://en.wikipedia.org/wiki/Barium_titanate
  9. Wikipedia. Propofol. Last Updated 9 August 2009. - http://en.wikipedia.org/wiki/Propofol
  10. Chemicalland21.com (2009). 2,6-Diisopropylphenol (Propofol). - http://chemicalland21.com/industrialchem/organic/2,6-DIISOPROPYLPHENOL.htm
  11. Wikipedia. Tramadol. Last Updated 8 August 2009. - http://en.wikipedia.org/wiki/Tramadol
  12. Drugs.com - http://www.drugs.com/cons/Propofol.html
  13. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/
  14. Rumack BH (2009). POISINDEX(R) Information System. Englewood, CO: Micromedex, Inc. CCIS Volume 141, edition expires Aug, 2009.
  15. MICROMEDEX Thomson Health Care (2002). USPDI - Drug Information for the Health Care Professional. 22nd ed. Volume 1. Englewood, CO: MICROMEDEX Thomson Health Care. Content Reviewed and Approved by the U.S. Pharmacopeial Convention, Inc.
  16. Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206