| NMR | | Type | Description | | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, H2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | | Spectrum | | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | | Spectrum |
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| Health Effects / Bioactivities | | Descriptor | ID | Definition | Reference |
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| (-)-chronotropic | | An agent that decreases heart rate by affecting nerves controlling the heart or the sinoatrial node's rhythm, used therapeutically to manage arrhythmias, hypertension, and angina, and to reduce myocardial oxygen demand. | DUKE | | (-)-inotropic | | An agent that weakens the force of muscular contractions, particularly in the heart. It plays a biological role in reducing cardiac workload and is therapeutically used to manage conditions like angina, heart failure, and hypertension, helping to decrease the heart's oxygen demand. | DUKE | | Acaricide | 22153 | An agent that kills mites and ticks, used to control infestations and prevent diseases like scabies and tick-borne illnesses. Therapeutically, acaricides are applied topically or systemically to treat parasitic infections, reducing discomfort and preventing disease transmission. Key medical uses include treating acariasis, demodectic mange, and tick paralysis. | DUKE | | Allelopathic | | Biochemicals that inhibit growth, survival, or reproduction in other organisms, with potential therapeutic applications in weed control, antimicrobial, and anticancer treatments, and key medical uses in developing novel pesticides, antibiotics, and chemotherapeutics. | DUKE | | Allergenic | 50904 | 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 | | Anesthetic | | A drug that induces a reversible loss of sensation, used to prevent pain and discomfort during medical procedures, surgeries, and diagnostic tests, promoting patient comfort and facilitating treatment. | DUKE | | Anti-helmintic | 33281 | 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 acetylcholinesterase | 38462 | An agent that inhibits acetylcholinesterase, increasing acetylcholine levels. It enhances cholinergic transmission, used therapeutically to treat Alzheimer's disease, myasthenia gravis, and glaucoma, improving cognitive function, muscle strength, and reducing intraocular pressure. | DUKE | | Anti-allergic | 50857 | An agent that reduces or blocks allergic reactions, commonly used to manage symptoms of allergies, such as itching, sneezing, and inflammation, by inhibiting the release of histamine and other chemical mediators, providing relief in conditions like hay fever, asthma, and skin allergies. | DUKE | | Anti bacterial | 33282 | 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 | | Anti-bronchitic | 52217 | An agent that relieves bronchial congestion and inflammation, commonly used in managing respiratory disorders such as bronchitis, asthma, and chronic obstructive pulmonary disease (COPD), to reduce coughing, wheezing, and shortness of breath. | DUKE | | Anti cariogenic | 52217 | An agent that prevents tooth decay, reducing bacterial acid production and plaque formation. Its biological role is to inhibit the growth of cariogenic bacteria, and its therapeutic applications include preventing dental caries and managing tooth decay. Key medical uses include toothpaste, mouthwashes, and dental varnishes to maintain oral health. | DUKE | | Anti-catarrh | 52217 | An agent that reduces excess mucus production, commonly used to relieve respiratory congestion, coughs, and colds, providing therapeutic benefits in managing upper respiratory tract infections and allergic rhinitis. | DUKE | | Anti cholinesterase | 37733 | 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-fatigue | 52217 | An agent that reduces physical and mental exhaustion, enhancing endurance and vitality. It plays a biological role in regulating energy metabolism and mitigating oxidative stress. Therapeutically, anti-fatigue agents are used to manage chronic fatigue syndrome, improve athletic performance, and alleviate symptoms of anemia and other debilitating conditions. | DUKE | | Anti halitosic | | An agent that relieves bad breath, targeting volatile sulfur compounds, and reducing oral bacteria. Therapeutically, it freshens breath, prevents mouth odor, and is commonly used in oral care products, such as mouthwashes and toothpastes, to manage halitosis. | DUKE | | Anti-inflammatory | 35472 | 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 laryngitic | 52217 | An agent that soothes and protects the larynx (voice box), reducing inflammation and irritation. It is used therapeutically to relieve symptoms of laryngitis, such as hoarseness and sore throat, and is commonly used in managing voice disorders and respiratory infections. | DUKE | | Anti nociceptive | 35470 | An agent that reduces the sensitivity to painful stimuli, blocking the transmission of pain signals. Its biological role is to modulate pain perception, with therapeutic applications in managing acute and chronic pain. Key medical uses include treating headaches, arthritis, and post-surgical pain, as well as providing relief for cancer and neuropathic pain. | DUKE | | Anti-pharyngitic | | An agent that relieves inflammation of the pharynx, reducing pain and discomfort. Its biological role is to soothe and calm the throat, making it a therapeutic application for sore throats. Key medical uses include treating pharyngitis, tonsillitis, and laryngitis, providing temporary relief from symptoms. | DUKE | | Anti-plaque | | An agent that removes or prevents the formation of dental plaque, a biofilm of bacteria, to prevent tooth decay and gum disease, commonly used in oral care products and therapeutic applications for periodontal health. | DUKE | | Anti-rheumatic | 52217 | An agent that reduces inflammation and alleviates symptoms of rheumatic diseases, such as arthritis. It plays a biological role in modulating the immune system and inhibiting pro-inflammatory pathways. Therapeutically, anti-rheumatics are used to manage conditions like rheumatoid arthritis, lupus, and osteoarthritis, reducing pain, swelling, and joint damage. Key medical uses include slowing disease progression and improving quality of life for patients with chronic rheumatic conditions. | DUKE | | Anti-rhinitic | 52217 | An agent that relieves nasal congestion and allergic rhinitis symptoms, reducing inflammation and histamine release. Therapeutically, it's used to manage rhinitis, sinusitis, and allergic reactions, providing relief from sneezing, runny nose, and itchy eyes. | DUKE | | Anti septic | 33281 | 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-sinusitic | | An agent that relieves sinus congestion and pressure, reducing inflammation and discomfort. It is used to treat sinusitis, colds, and allergies, providing therapeutic relief from respiratory symptoms such as congestion, headaches, and facial pain. | DUKE | | Anti-spasmodic | 52217 | An agent that relaxes smooth muscle, reducing muscle spasms and cramps. It plays a biological role in regulating muscle tone and is therapeutically applied to treat conditions such as irritable bowel syndrome, menstrual cramps, and muscle spasms, providing relief from abdominal pain and discomfort. | DUKE | | Anti-staphylococcic | 33282 | 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-tussive | 52217 | An agent that suppresses coughing, reducing the frequency and severity of coughs. It works by targeting the brain's cough center, providing therapeutic relief for dry, irritating coughs. Key medical uses include managing coughs associated with colds, flu, and other respiratory conditions. | DUKE | | Anti ulcer | 49201 | An agent that reduces stomach acid and protects the mucous lining, preventing ulcer formation. It is used to treat conditions like gastroesophageal reflux disease (GERD), peptic ulcers, and Zollinger-Ellison syndrome, promoting healing and relieving symptoms. | DUKE | | Candidicide | | An 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 | | Carcinogenic | 50903 | An agent that causes cancer, damaging cellular DNA and disrupting normal cell growth. It has no therapeutic applications, but understanding its biological role informs cancer prevention and treatment strategies, with key medical uses in oncology research and risk assessment. | DUKE | | Choleretic | | An agent that increases bile production and secretion from the liver, enhancing digestion and fat absorption. Therapeutically, it's used to treat gallstones, liver disease, and indigestion, promoting healthy bile flow and liver function. | DUKE | | Central nervous system stimulant | 35470 | An agent that increases alertness and activity by enhancing neurotransmitter release, used therapeutically to manage attention deficit hyperactivity disorder (ADHD), narcolepsy, and fatigue, and to improve cognitive function and mood. | DUKE | | Convulsant | | An agent that induces convulsions and/or epileptic seizures, acting as a stimulant at low doses. It has no therapeutic applications due to its high risk of causing seizures and excitotoxicity, and is the opposite of an anticonvulsant. | DUKE | | Counterirritant | | An agent that induces mild irritation or inflammation in one area to reduce discomfort and/or inflammation in another, often used to relieve pain, reduce swelling, and promote healing in conditions like arthritis, sprains, and strains. | DUKE | | Cytochrome-p450 inducer | | An agent that stimulates cytochrome-p450 enzyme activity, enhancing drug metabolism. Therapeutically, it increases clearance of toxic substances and certain medications, with applications in managing drug interactions, toxic exposures, and some cancers. | DUKE | | Decongestant | 77715 | An agent that reduces nasal congestion by constricting blood vessels, decreasing swelling in the nasal passages. Therapeutically, it relieves sinus pressure and eases breathing, commonly used to treat colds, allergies, and sinusitis. | DUKE | | Degranulant | | An agent that stimulates the release of granules, typically as part of an immune reaction, playing a role in allergic responses and inflammation. Therapeutically, degranulants are used to manage conditions like asthma and anaphylaxis, and have applications in immunotherapy and allergy treatments. | DUKE | | Dentifrice | | An agent used with a toothbrush to clean and polish teeth, playing a key role in oral hygiene. Therapeutically, it helps prevent plaque, tartar, and gingivitis. Medically, dentifrice is used to maintain oral health, freshen breath, and remove surface stains, promoting overall dental well-being. | DUKE | | Edemagenic | | An agent that induces edema by damaging capillaries, without triggering a cellular inflammatory response. It has limited therapeutic applications, but is used in research to study edema and vascular permeability, with potential medical uses in understanding and treating conditions involving fluid retention and swelling. | DUKE | | Expectorant | 52217 | An agent that thins and loosens mucus, making it easier to cough up, reducing congestion. It aids in clearing respiratory tract secretions, commonly used to relieve coughs, colds, and bronchitis, promoting easier breathing and soothing irritated airways. | DUKE | | Name | 48318 | flavor | DUKE | | Fungicide | 24127 | 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 | | Gastroprotective | 55324 | An agent that protects the stomach and intestinal lining, reducing inflammation and preventing damage. It has therapeutic applications in managing gastrointestinal disorders, such as ulcers and gastritis, and is commonly used to prevent NSAID-induced stomach damage and treat acid reflux disease. | DUKE | | Gram(+)icide | 33282 | 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(-)icide | 33282 | 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 | | Hepatotonic | | An agent that tones and strengthens the liver, promoting liver health and function. It is used therapeutically to enhance liver regeneration, detoxification, and overall well-being, commonly used in managing liver diseases, such as hepatitis and cirrhosis, and supporting recovery from liver damage. | DUKE | | Herbicide | 24527 | A chemical agent that kills or inhibits plant growth, used in agriculture to control weeds and pests. It has no direct biological role or therapeutic applications in human medicine, but its development has led to the creation of related compounds with potential medical uses, such as anticancer agents. | DUKE | | Hypotensive | | An agent that lowers blood pressure, playing a biological role in regulating cardiovascular function. Therapeutically, it's used to manage hypertension, heart failure, and angina, with key medical applications in preventing stroke, kidney disease, and cardiac complications. | DUKE | | Inflammatory | | An agent that triggers inflammation, a biological response to injury or infection. It plays a role in immune response, but excessive inflammation can be harmful. Therapeutically, inflammatory agents are used in vaccine development and cancer treatment to stimulate immune response. Key medical uses include immunotherapy and vaccination, where controlled inflammation enhances immune response to fight diseases. | DUKE | | Insectifuge | 24852 | A substance that repels insects, playing a biological role in plant defense. Therapeutically, it has applications in preventing insect-borne diseases. Key medical uses include topical repellents for malaria, dengue fever, and other vector-borne illnesses, reducing the risk of transmission. | DUKE | | Irritant | | An agent that causes slight inflammation or discomfort, stimulating a biological response. Therapeutically, it can be used to increase blood flow or stimulate healing. Key medical uses include treating wounds, skin conditions, and respiratory issues, such as congestion, by inducing a mild inflammatory response to promote recovery. | DUKE | | Myorelaxant | | An agent that reduces muscle contractility by blocking nerve impulses or decreasing motor end plate excitability, used therapeutically to relieve muscle spasms, tension, and pain, commonly in managing musculoskeletal disorders, anxiety, and insomnia. | DUKE | | Nematicide | 25491 | 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 | | Neurotoxic | 50910 | A substance that damages or destroys nerve cells, disrupting normal brain function. It has no therapeutic applications, but is used in research to study neurodegenerative diseases. Key medical uses include understanding and developing treatments for conditions like Alzheimer's and Parkinson's diseases, where neurotoxicity plays a role. | DUKE | | Pediculicide | 38706 | An agent that kills lice, used to treat infestations such as head lice, body lice, and pubic lice, reducing discomfort and preventing the spread of diseases like typhus and trench fever. | DUKE | | Perfume | 48318 | A fragrant substance with a biological role in attracting and repelling, having therapeutic applications in aromatherapy for mood enhancement and stress relief. Key medical uses include anxiety reduction, mood elevation, and pain management, with some fragrances exhibiting anti-anxiety and anti-depressant properties. | DUKE | | Pesticide | 25944 | 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 | | Rubefacient | | A topical agent that causes skin redness by dilating capillaries and increasing blood circulation, used therapeutically to relieve pain, reduce inflammation, and promote healing in conditions such as arthritis and muscle strain. | DUKE | | Secretogogue | | A substance that stimulates secretion, playing a biological role in regulating hormone and enzyme release. Therapeutically, it has applications in treating conditions like hyposecretion and is used to manage digestive issues, respiratory problems, and endocrine disorders, promoting healthy secretion in various bodily systems. | DUKE | | Sedative | 35717 | An agent that calms nervous activity, reducing anxiety and inducing relaxation. Its biological role is to slow down brain function, promoting sleep and relieving stress. Therapeutically, sedatives are used to manage insomnia, anxiety disorders, and seizures, as well as to prepare patients for medical procedures. | DUKE | | Spasmogenic | | An agent that induces spasms, causing sudden involuntary muscular contractions. It plays a biological role in stimulating muscle activity. Therapeutically, it has applications in diagnosing and treating muscle disorders. Key medical uses include assessing muscle function and treating conditions like muscle atrophy, with potential applications in physical therapy and rehabilitation. | DUKE | | Surfactant | 35195 | A substance that reduces surface tension, playing a crucial biological role in lung function by facilitating breathing. Therapeutically, it is used to treat respiratory distress syndrome in preterm infants. Key medical uses include enhancing lung expansion, improving gas exchange, and preventing alveolar collapse, ultimately reducing the risk of respiratory failure. | DUKE | | Testosterone-hydroxylase inducer | | An agent that stimulates testosterone hydroxylase activity, enhancing the breakdown of testosterone. It has therapeutic applications in treating androgen-related disorders, with key medical uses including prostate cancer, acne, and hirsutism management. | DUKE | | Transdermal | | A route of administration where active ingredients are delivered through the skin for systemic distribution, used therapeutically to manage conditions like pain, hormone replacement, and smoking cessation, with key medical applications including patches and implants for controlled release of medications. | DUKE | | Trichomonicide | | An agent that kills Trichomonas organisms, used to treat Trichomonas vaginalis infections, commonly causing vaginitis, and other related genital tract infections. | DUKE |
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