Record Information
Version1.0
Creation date2010-04-08 22:10:02 UTC
Update date2019-11-26 03:06:21 UTC
Primary IDFDB012190
Secondary Accession Numbers
  • FDB003537
  • FDB003562
Chemical Information
FooDB NameAllicin
DescriptionIsolated from garlic (Allium sativum). Nutriceutical Allicin is an organic compound obtained from garlic. It is also obtainable from onions, and other species in the family Alliaceae. It was first isolated and studied in the laboratory by Chester J. Cavallito in 1944. This colourless liquid has a distinctively pungent smell. This compound exhibits antibacterial and anti-fungal properties. Allicin is garlic's defence mechanism against attacks by pests. Allicin is found in many foods, some of which are saskatoon berry, arrowroot, summer savory, and devilfish.
CAS Number539-86-6
Structure
Thumb
Synonyms
SynonymSource
2-Propene-1-sulfinothioic acid S-2-propenyl esterChEBI
Thio-2-propene-1-sulfinic acid S-allyl esterChEBI
2-Propene-1-sulfinothioate S-2-propenyl esterGenerator
2-Propene-1-sulphinothioate S-2-propenyl esterGenerator
2-Propene-1-sulphinothioic acid S-2-propenyl esterGenerator
Thio-2-propene-1-sulfinate S-allyl esterGenerator
Thio-2-propene-1-sulphinate S-allyl esterGenerator
Thio-2-propene-1-sulphinic acid S-allyl esterGenerator
2-Propene-1-sulfinic acid, thio-, S-allyl esterHMDB
2-Propene-1-sulfinothioic acid, S-2-propenyl esterHMDB
2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9ci)HMDB
AlliminHMDB, MeSH
AllitridiHMDB
AllylthiosulfinateHMDB, MeSH
Allylthiosulphinic acid allyl esterHMDB
DadsoHMDB
Diallyl disulfide-oxideHMDB, MeSH
Diallyl thiosulfinateHMDB
Diallyldisulfid-S-oxidHMDB
S-2-Propenyl 2-propene-1-sulfinothioate, 9ciHMDB
S-Allyl 2-propene-1-sulfinothioateHMDB
S-Allyl acrylo-1-sulphinothioateHMDB
S-Allyl prop-2-ene-1-sulfinothioateHMDB
S-Prop-2-en-1-yl prop-2-ene-1-sulfinothioateHMDB
2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9CI)biospider
Diallyldisulfid-s-oxidbiospider
S-2-Propenyl 2-propene-1-sulfinothioate, 9CIdb_source
S-allyl 2-propene-1-sulfinothioatebiospider
S-allyl prop-2-ene-1-sulfinothioatebiospider
S-prop-2-en-1-yl prop-2-ene-1-sulfinothioatebiospider
thio-2-propene-1-sulfinic acid S-allyl esterbiospider
Predicted Properties
PropertyValueSource
Water Solubility6.13 g/LALOGPS
logP1.16ALOGPS
logP2.02ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)-5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity44.93 m³·mol⁻¹ChemAxon
Polarizability17.01 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC6H10OS2
IUPAC name3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene
InChI IdentifierInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChI KeyJDLKFOPOAOFWQN-UHFFFAOYSA-N
Isomeric SMILESC=CCSS(=O)CC=C
Average Molecular Weight162.273
Monoisotopic Molecular Weight162.017306322
Classification
Description Belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassThiosulfinic acid esters
Sub ClassNot Available
Direct ParentThiosulfinic acid esters
Alternative Parents
Substituents
  • Thiosulfinic acid ester
  • Allyl sulfur compound
  • Sulfenyl compound
  • Sulfinyl compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 44.41%; H 6.21%; O 9.86%; S 39.52%DFC
Melting Point<25 °C
Boiling PointNot Available
Experimental Water Solubility24 mg/mL at 10 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV Data240 () (MeOH) (Berdy)DFC
Densityd 1.11DFC
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MS2-Propene-1-sulfinothiocic-acids 2-propenyl ester, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-006x-9100000000-afcc42c2c1bd90b0e384Spectrum
Predicted GC-MS2-Propene-1-sulfinothiocic-acids 2-propenyl ester, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - 6V, Positivesplash10-03di-5900000000-c7e9724fe1ff5ad98c3f2021-09-20View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03k9-9700000000-734a318e76fb991aae762015-05-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00dl-9500000000-31a6285b63158ade86a32015-05-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0096-9000000000-554fb97cc2ab4464f9482015-05-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0229-1900000000-a892e3c38e5a1381bfd62015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-8900000000-5679f84e236fe52171f12015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000l-9100000000-938b07f1d7929cac2c102015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-9000000000-cab08c5e5fb2515b21e02021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9000000000-783053aa8c1ac33a048a2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9000000000-38be7df051153b3a0b982021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-41d89692da06c3b22ce42021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-5573a83f7ab84f282f3c2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00du-9000000000-04d80516e1e44b95f8992021-09-24View Spectrum
NMRNot Available
ChemSpider ID58548
ChEMBL IDNot Available
KEGG Compound IDC07600
Pubchem Compound ID65036
Pubchem Substance IDNot Available
ChEBI ID28411
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33963
CRC / DFC (Dictionary of Food Compounds) IDHDZ34-Z:HDZ34-Z
EAFUS IDNot Available
Dr. Duke IDALLICIN
BIGG IDNot Available
KNApSAcK IDC00001242
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAllicin
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
Alcohol dehydrogenase inhibitor50269 An agent that blocks the activity of alcohol dehydrogenase, an enzyme involved in alcohol metabolism. It reduces acetaldehyde production, alleviating hangover symptoms and treating alcohol poisoning, with potential applications in managing alcohol use disorder and reducing ethanol toxicity.DUKE
Allergenic50904 A substance that triggers an immune response, causing allergic reactions. Its biological role is to stimulate the immune system, but it has no therapeutic applications. Key medical uses include diagnosing allergies and developing immunotherapies to desensitize patients to specific allergens, reducing the risk of severe reactions.DUKE
Amebicide33281 An agent that kills or inhibits the growth of amoebas, used to treat amoebic infections such as amoebic dysentery and liver abscess, commonly targeting Entamoeba histolytica.DUKE
Anti-helmintic33281 An agent that kills or expels parasitic worms, treating helminthic infections. Therapeutically, it targets intestinal parasites, reducing infection symptoms. Key medical uses include treating roundworm, hookworm, and tapeworm infections.DUKE
Anti-aggregantAn agent that prevents platelet aggregation, reducing blood clot formation. Its biological role is to inhibit platelet activation, and its therapeutic applications include preventing thrombosis and stroke. Key medical uses include treating cardiovascular diseases, such as myocardial infarction and atrial fibrillation, and managing conditions that increase the risk of blood clots.DUKE
Anti-atherosclerotic38070 An agent that prevents or slows the formation of atherosclerosis, a condition characterized by plaque buildup in arteries. It reduces inflammation, improves lipid profiles, and inhibits platelet aggregation, commonly used to manage cardiovascular diseases, such as coronary artery disease, and prevent heart attacks and strokes.DUKE
Anti bacterial33282 An agent that inhibits the growth of or destroys bacteria, playing a crucial role in preventing and treating infections. Therapeutically, it is used to combat bacterial infections, with key medical applications including treating pneumonia, tuberculosis, and skin infections, as well as preventing surgical site infections and sepsis.DUKE
Antibiotic22582 An agent that inhibits the growth of or destroys microorganisms, particularly bacteria. Therapeutically, antibiotics are used to treat bacterial infections, such as pneumonia, tuberculosis, and skin infections, by targeting specific biochemical processes essential for microbial survival.DUKE
Anti cholinesterase37733 An agent that inhibits acetylcholinesterase, increasing acetylcholine levels, and enhancing cholinergic transmission. Therapeutically, it's used to treat myasthenia gravis, glaucoma, and Alzheimer's disease, improving muscle strength, reducing eye pressure, and enhancing cognitive function.DUKE
Anti-diabetic52217 An agent that regulates blood sugar levels, enhancing insulin sensitivity or secretion. Therapeutically, it's used to manage diabetes, reducing symptoms and complications, and commonly prescribed to treat type 1 and 2 diabetes, as well as gestational diabetes.DUKE
Anti-flu22587 An agent that prevents or treats influenza virus infections, reducing symptoms and complications. Its biological role involves blocking viral replication, and its therapeutic applications include prophylaxis and treatment of flu outbreaks. Key medical uses include reducing the risk of flu-related hospitalizations and mortality, especially in high-risk populations such as the elderly and young children.DUKE
Anti-glaucomicAn agent that reduces intraocular pressure, used to treat and prevent damage to the optic nerve and vision loss associated with glaucoma, promoting eye health and preserving vision.DUKE
Anti-herpetic22587 An agent that inhibits the replication of herpes viruses, reducing symptoms and severity of infections. Therapeutically, it is used to treat herpes simplex (HSV-1 and HSV-2) and varicella-zoster virus (VZV) infections, commonly used in managing genital herpes, cold sores, and shingles.DUKE
Anti hypertensive52217 An agent that lowers blood pressure, reducing the risk of cardiovascular disease. It plays a biological role in relaxing blood vessels, decreasing cardiac workload, and improving blood flow. Therapeutically, it's used to manage hypertension, heart failure, and stroke, with key medical applications in preventing organ damage and improving overall cardiovascular health.DUKE
Anti-inflammatory35472 An agent that reduces inflammation, playing a biological role in suppressing immune responses and therapeutic applications in managing pain, swelling, and redness. Key medical uses include treating arthritis, allergies, and autoimmune disorders, as well as relieving symptoms of conditions such as asthma and dermatitis.DUKE
Anti leukemic35610 An agent that targets and inhibits the growth of leukemia cells, playing a crucial role in cancer treatment. Therapeutically, it is used to induce remission, manage symptoms, and improve survival rates in patients with leukemia. Key medical uses include treating acute and chronic leukemia, lymphoma, and other hematological malignancies.DUKE
Anti leukotriene35222 An agent that blocks the action of leukotrienes, reducing inflammation and bronchoconstriction. Therapeutically, it is used to treat asthma, allergic rhinitis, and other respiratory disorders by inhibiting the biological role of leukotrienes in mediating inflammatory responses.DUKE
Anti-lymphomicAn agent that targets and destroys lymphatic cells that form tumors, playing a crucial role in cancer treatment. Therapeutically, it is used to manage lymphomas, with key medical applications in chemotherapy and immunotherapy to combat blood cell cancers.DUKE
Anti-mutagenicAn agent that interferes with the mutagenicity of a substance, preventing DNA damage and mutations. Its biological role is to protect cells from genetic alterations, and it has therapeutic applications in cancer prevention and treatment, as well as key medical uses in reducing the risk of genetic disorders and birth defects.DUKE
Anti neuralgic52217 An agent that relieves nerve pain, reducing inflammation and discomfort. It plays a biological role in blocking pain pathways, and has therapeutic applications in managing conditions like trigeminal neuralgia, shingles, and diabetic neuropathy. Key medical uses include treating severe nerve pain, numbness, and tingling sensations.DUKE
Anti-oxidant22586 An agent that neutralizes free radicals, reducing oxidative stress and cell damage. Its biological role involves protecting cells from harm, and it has therapeutic applications in managing chronic diseases, such as cancer, diabetes, and neurodegenerative disorders, with key medical uses including anti-aging, anti-inflammatory, and cardio protective effects.DUKE
Anti plateletAn agent that prevents blood clot formation by inhibiting platelet aggregation, used to treat and prevent heart disease, stroke, and other cardiovascular conditions.DUKE
Anti proliferantAn agent that prevents or inhibits cell growth and division, used therapeutically to treat cancer, manage tumor growth, and prevent restenosis after angioplasty, reducing abnormal cell proliferation.DUKE
Anti prostaglandin49020 An agent that inhibits prostaglandin production, reducing inflammation and pain. Therapeutically, it's used to treat conditions like arthritis, menstrual cramps, and post-surgical pain, by blocking prostaglandin-mediated responses, providing relief from inflammation and discomfort.DUKE
Anti radicularAn agent that relieves inflammation or irritation of the nerve root of a tooth, reducing pain and discomfort. Its biological role is to target and alleviate radicular pain, with therapeutic applications in endodontics and key medical uses in root canal treatments and tooth sensitivity management.DUKE
Anti sarcomic35610 An agent that targets sarcomas, a type of cancer that arises from connective tissue. It plays a biological role in inhibiting tumor growth and proliferation. Therapeutically, it is used to manage soft tissue sarcomas, with key medical applications in oncology, particularly in treating rare and aggressive sarcoma subtypes.DUKE
Anti septic33281 An agent that prevents or reduces the growth of microorganisms, such as bacteria, fungi, or viruses, to promote wound healing and prevent infection. Therapeutically, anti septics are used to treat minor cuts, scrapes, and burns, and are commonly applied topically to reduce the risk of infection and promote tissue repair. Key medical uses include wound care, surgical site preparation, and skin infection management.DUKE
Anti-shigellic33282 An agent that combats Shigella infections, reducing bacterial growth and alleviating symptoms of shigellosis, a highly contagious diarrheal disease. Therapeutically, it is used to treat gastrointestinal infections, preventing dehydration and promoting recovery, particularly in pediatric and immunocompromised patients.DUKE
Anti-staphylococcic33282 An agent that combats Staphylococcus infections, playing a crucial role in preventing bacterial growth. Therapeutically, it is used to treat skin and soft tissue infections, respiratory tract infections, and bloodstream infections. Key medical uses include treating methicillin-resistant Staphylococcus aureus (MRSA) and other staphylococcal infections, reducing the risk of infection and promoting wound healing.DUKE
Anti triglyceride35222 An agent that reduces triglyceride levels, lowering cardiovascular disease risk. It inhibits triglyceride synthesis or increases clearance, commonly used in managing hypertriglyceridemia, preventing pancreatitis, and reducing cardiovascular events.DUKE
Anti-tubercular33282 An agent that combats tuberculosis, playing a biological role in inhibiting the growth of Mycobacterium tuberculosis. Therapeutically, it is used to treat and prevent tuberculosis, with key medical applications including the treatment of active TB, latent TB, and TB meningitis, as well as preventing the spread of TB in high-risk populations.DUKE
Antitumor35610 An agent that inhibits tumor growth and proliferation, playing a crucial role in cancer treatment. Therapeutically, antitumors are used to manage various types of cancer, including chemotherapy, targeted therapy, and immunotherapy, helping to reduce tumor size, prevent metastasis, and improve patient outcomes.DUKE
Anti-viral22587 An agent that inhibits the replication of viruses, playing a crucial role in preventing and treating viral infections. Therapeutically, anti-virals are used to manage diseases such as HIV, herpes, and influenza, reducing symptoms and slowing disease progression. Key medical uses include treating viral hepatitis, respiratory syncytial virus, and COVID-19.DUKE
ApoptoticAn agent that stimulates programmed cell death, playing a crucial biological role in eliminating damaged or unwanted cells. It has therapeutic applications in cancer treatment, and key medical uses include inducing cell death in malignant cells, reducing tumor growth, and enhancing chemotherapy efficacy.DUKE
Calcium antagonist48706 A medication that blocks calcium ion entry into cells, reducing muscle contraction and vascular resistance. It treats hypertension, angina, and arrhythmias by dilating blood vessels and decreasing cardiac workload, commonly used in managing cardiovascular diseases.DUKE
CandidicideAn agent that kills Candida species, such as Candida albicans, reducing fungal infections. Therapeutically, it is used to treat candidiasis, with key medical applications in managing oral thrush, vaginal yeast infections, and other fungal diseases.DUKE
Cyclooxygenase inhibitor35544 An agent that blocks the activity of cyclooxygenase enzymes, reducing inflammation and pain. Therapeutically, it is used to treat conditions such as arthritis, headaches, and menstrual cramps, by decreasing prostaglandin production, a key mediator of inflammation.DUKE
Fungicide24127 An agent that kills or inhibits the growth of fungi, playing a biological role in preventing fungal infections. Therapeutically, it is used to treat fungal diseases, with key medical applications including athlete's foot, ringworm, and candidiasis, as well as agricultural uses to protect crops from fungal damage.DUKE
Gram(+)icide33282 An agent that targets and kills Gram-positive bacteria, playing a crucial role in treating bacterial infections. Therapeutically, it is used to combat infections caused by Gram-positive microorganisms, with key medical applications including treating skin infections, pneumonia, and sepsis.DUKE
Gram(-)icide33282 An agent that kills Gram-negative bacteria, playing a crucial role in treating infections. Therapeutically, it is used to combat bacterial infections, particularly those resistant to other antibiotics. Key medical uses include treating sepsis, pneumonia, and urinary tract infections caused by Gram-negative bacteria.DUKE
Hepatotoxic50908 An agent that causes liver damage or toxicity, disrupting normal liver function. It has no therapeutic applications, but is often a side effect of certain medications, such as acetaminophen overdose, and is a key consideration in medical uses, including monitoring liver function during drug therapy.DUKE
HypocholesterolemicAn agent that lowers cholesterol levels in the blood, playing a crucial role in preventing cardiovascular disease. Therapeutically, it is used to manage hyperlipidemia and reduce the risk of heart disease, with key medical applications including the treatment of high cholesterol, atherosclerosis, and coronary artery disease.DUKE
Hypoglycemic35526 An agent that lowers blood glucose levels, playing a crucial role in glucose metabolism. Therapeutically, it is used to manage diabetes and insulin resistance, with key medical applications in treating type 1 and 2 diabetes, and preventing diabetic complications.DUKE
HypolipidemicAn agent that lowers lipid levels, treating hyperlipidemias by reducing cholesterol and triglyceride production, with therapeutic applications in managing cardiovascular disease, atherosclerosis, and stroke, commonly used to prevent heart attacks and improve overall cardiovascular health.DUKE
Immunostimulant50847 An agent that stimulates the immune system, enhancing its response to infections and diseases. Therapeutically, it boosts the body's natural defenses, commonly used to treat immunodeficiency disorders, prevent infections, and support cancer treatment, as well as manage chronic conditions like hepatitis and HIV.DUKE
Insecticide24852 An agent that kills or repels insects, used to control pests and prevent disease transmission. Therapeutically, insecticides have applications in public health and veterinary medicine, key medical uses include controlling insect-borne diseases such as malaria, typhus, and Lyme disease.DUKE
Insulin-sparingAn agent that reduces the dose of insulin required to achieve a given level of glycemic control, used therapeutically to manage diabetes, improving insulin sensitivity and reducing insulin resistance.DUKE
LarvicideAn insecticide that targets the larval life stage of insects, preventing their development into adults. Its biological role is to control insect populations, and its therapeutic applications include managing mosquito-borne diseases such as malaria and dengue fever, as well as controlling pest infestations in agriculture and public health.DUKE
LipolyticAn agent that stimulates hydrolysis of fats into fatty acids and glycerol, playing a key biological role in fat metabolism. Therapeutically, lipolytics have applications in managing obesity and hypertriglyceridemia, with medical uses including weight loss and improving lipid profiles.DUKE
Lipoxygenase inhibitor35856 An agent that blocks the activity of lipoxygenase enzymes, reducing inflammation and oxidative stress. Therapeutically, it's used to manage conditions like asthma, atherosclerosis, and cancer, by inhibiting the production of pro-inflammatory leukotrienes. Key medical uses include treating respiratory and cardiovascular diseases.DUKE
MucokineticAn agent that aids in the clearance of mucus from the airways, lungs, bronchi, and trachea, playing a biological role in maintaining respiratory health. Therapeutically, it is used to manage respiratory disorders, with key medical applications in treating conditions such as chronic bronchitis, asthma, and COPD.DUKE
MycobactericideAn agent that kills bacteria of the genus Mycobacteria, playing a crucial role in treating mycobacterial infections. Therapeutically, it is used to combat tuberculosis, leprosy, and other related diseases, serving as a key medical tool in controlling and eliminating these infections.DUKE
Nematicide25491 An agent that kills nematodes, a type of parasitic worm, used to control infestations in crops and animals, with therapeutic applications in veterinary medicine to treat parasitic infections and promote livestock health.DUKE
Nitric-oxide inhibitor35222 An agent that blocks the production of nitric oxide, reducing inflammation and vascular relaxation. Therapeutically, it's used to treat conditions like hypertension, angina, and septic shock, by constricting blood vessels and improving blood pressure. Key medical uses include cardiovascular and critical care applications.DUKE
Papain inhibitor23924 An agent that blocks the activity of papain, a proteolytic enzyme, reducing inflammation and tissue damage. Therapeutically, it's used to manage conditions like allergies, asthma, and digestive disorders, and has potential applications in wound healing and cancer treatment.DUKE
Pesticide25944 An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections.DUKE
PhagocytoticAn agent that engulfs and internalizes solid particles or cells through phagocytosis, playing a key role in immune defense. Therapeutically, it aids in removing pathogens and debris, with medical applications in treating infections and inflammatory disorders.DUKE
ProoxidantAn agent that induces oxidative stress by generating reactive oxygen species (ROS) or inhibiting antioxidant systems, playing a role in cell damage and disease progression. Therapeutically, prooxidants have applications in cancer treatment, as they can selectively kill cancer cells. Key medical uses include cancer therapy and antimicrobial treatments.DUKE
Prostaglandin-synthetase inhibitor23924 An agent that blocks the production of prostaglandins, reducing inflammation and pain. Therapeutically, it is used to treat conditions such as arthritis, menstrual cramps, and fever, by inhibiting the enzyme responsible for prostaglandin synthesis, thereby alleviating symptoms.DUKE
Succinate-dehydrogenase inhibitor23924 An agent that blocks the activity of succinate dehydrogenase, a key enzyme in the citric acid cycle. It has therapeutic applications in managing cancer, neurodegenerative diseases, and infectious diseases, with key medical uses including anti-tumor and anti-parasitic treatments.DUKE
TrichomonicideAn agent that kills Trichomonas organisms, used to treat Trichomonas vaginalis infections, commonly causing vaginitis, and other related genital tract infections.DUKE
Urease inhibitor50635 An agent that blocks the activity of urease, an enzyme that breaks down urea into ammonia. It is used to treat urinary tract infections, kidney stones, and other conditions where excessive urease activity is harmful, reducing ammonia production and alleviating symptoms.DUKE
VibriocideAn agent destructive to Vibrio bacteria, particularly V. cholerae, used to combat cholera and other Vibrio-mediated infections, serving as a therapeutic agent in managing diarrheal diseases and preventing waterborne illnesses.DUKE
Xanthine oxidase inhibitor35634 An agent that blocks xanthine oxidase, an enzyme involved in uric acid production, reducing inflammation and oxidative stress. Therapeutically, it's used to treat gout, hyperuricemia, and prevent kidney stones, with key applications in managing cardiovascular disease and improving kidney function.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.