Record Information
Version1.0
Creation date2010-04-08 22:11:28 UTC
Update date2019-11-26 03:10:46 UTC
Primary IDFDB014795
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Isopropyl-5-methylphenol
DescriptionFound in many essential oils. Especies found in the Labiatae. Rich sources are thyme oil, seed oil of Ptychotis ajowan and oils of horsemint (Monarda punctata) and Ocimum subspecies Flavouring ingredient A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed) -- Pubchem; In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives. -- Wikipedia; In a 1994 report released by five top cigarette companies, thymol was listed as one of 599 additives to cigarettes. It is said to be added to improve the flavor of cigarettes, but as mentioned above, it relaxes the trachea.; Thymol (also known as 2-isopropyl-5-methylphenol), (IPMP) is a monoterpene phenol derivative of cymene, C10H14O, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol is only slightly soluble in water, but it is extremely soluble in alcohols and other organic solvents. It is also called "Isopropyl-m-cresol" and "hydroxy cymene".; Thymol is a monoterpene phenol derivative of cymene, C10H13OH, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. It is also called "hydroxy cymene". (from Webster's 1913 dictionary) -- Wikipedia
CAS Number89-83-8
Structure
Thumb
Synonyms
SynonymSource
1-Hydroxy-5-methyl-2-isopropylbenzeneChEBI
2-Isopropyl-5-methylphenolChEBI
3-p-CymenolChEBI
5-METHYL-2-(1-methylethyl)phenolChEBI
5-Methyl-2-isopropylphenolChEBI
6-Isopropyl-3-methylphenolChEBI
6-Isopropyl-m-cresolChEBI
1-Methyl-3-hydroxy-4-isopropylbenzeneHMDB
2-Hydroxy-1-isopropyl-4-methylbenzeneHMDB
3-Hydroxy-1-methyl-4-isopropylbenzeneHMDB
3-Hydroxy-P-cymeneHMDB
3-Methyl-6-isopropylphenolHMDB
5-Methyl-2-isopropyl-1-phenolHMDB
6-Isopropyl-P-cresolHMDB
Isopropyl cresolHMDB
Isopropyl-m-cresolHMDB
m-ThymolHMDB
P-Cymen-3-olHMDB
ThymateHMDB
Thyme camphorHMDB
Thymic acidHMDB
Thymol crystal purissHMDB
Thymol swarm brandMeSH, HMDB
ApiguardMeSH, HMDB
Swarm brand OF thymolMeSH, HMDB
2-Isopropyl-5-methylphenol (thymol)biospider
3-Hydroxy-4-isopropyltoluenedb_source
3-Hydroxy-p-cymenedb_source
5-Methyl-2-(1-methylethyl)phenolbiospider
5-Methyl-2-(1-methylethyl)phenol, 9CIdb_source
5-methyl-2-(propan-2-yl)phenolbiospider
5-methyl-2-propan-2-ylphenolbiospider
6-Isopropyl-p-cresolbiospider
BENZENE,2-HYDROXY,1-ISOPROPYL,4-METHYL THYMOLbiospider
Cymophenol, alpha-biospider
FEMA 3066db_source
IPBbiospider
m-Cresol, 6-isopropyl-biospider
p-Cymen-3-olbiospider
p-Cymen-3-ol, 8CIdb_source
p-Cymene, 3-hydroxy-biospider
p-Mentha-1,3,5-trien-3-oldb_source
Phenol, 2-isopropyl-5-methyl-biospider
Phenol, 5-methyl-2-(1-methylethyl)-biospider
Swarm brand of thymolbiospider
Thymianic acid (obsol.)db_source
Thymianic camphor (obsol.)db_source
Thymoldb_source
Thymol (JP15/NF)biospider
Thymol (TN)biospider
Thymol [usan:jan]biospider
Predicted Properties
PropertyValueSource
Water Solubility0.64 g/LALOGPS
logP3.16ALOGPS
logP3.43ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)10.59ChemAxon
pKa (Strongest Basic)-5.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity47.27 m³·mol⁻¹ChemAxon
Polarizability17.84 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC10H14O
IUPAC name5-methyl-2-(propan-2-yl)phenol
InChI IdentifierInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI KeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
Isomeric SMILESCC(C)C1=C(O)C=C(C)C=C1
Average Molecular Weight150.221
Monoisotopic Molecular Weight150.104465071
Classification
Description Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentAromatic monoterpenoids
Alternative Parents
Substituents
  • P-cymene
  • Aromatic monoterpenoid
  • Monocyclic monoterpenoid
  • Cumene
  • Phenylpropane
  • M-cresol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Toluene
  • Benzenoid
  • Monocyclic benzene moiety
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 79.96%; H 9.39%; O 10.65%DFC
Melting PointMp 51.5°DFC
Boiling PointBp10 115°DFC
Experimental Water Solubility0.9 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP3.30HANSCH,C ET AL. (1995)
Experimental pKapKa1 10.62 (20°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-000i-4900000000-73edaa628c1f5f2e1bd92015-03-01View Spectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-0900000000-333dc57384e65e3b4cfaSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-1900000000-3679938a5ea114a30e48Spectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-3900000000-8ce5865e48dad7250d5eSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0109030000-5562c203cb318f30321bSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-0a4i-2492200000-85342d698be72263a95fSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-0900000000-333dc57384e65e3b4cfaSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-1900000000-3679938a5ea114a30e48Spectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-000i-3900000000-8ce5865e48dad7250d5eSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0109030000-5562c203cb318f30321bSpectrum
GC-MSThymunic acid, non-derivatized, GC-MS Spectrumsplash10-0a4i-2492200000-85342d698be72263a95fSpectrum
Predicted GC-MSThymunic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0f79-3900000000-e309fdc1ab0cd926b420Spectrum
Predicted GC-MSThymunic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0ab9-9880000000-3a69bebdbca0f95e862aSpectrum
Predicted GC-MSThymunic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSThymunic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-01p9-9700000000-e1a28495617d7b014e5c2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-014i-9300000000-baeee6cdcafaadeebdec2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-015c-9100000000-e1efa41eaf818832448a2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - EI-B (SHIMADZU LKB-9000B) , Positivesplash10-000i-0900000000-333dc57384e65e3b4cfa2012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - EI-B (HITACHI RMU-6L) , Positivesplash10-000i-1900000000-3679938a5ea114a30e482012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - EI-B (HITACHI M-80B) , Positivesplash10-000i-3900000000-f72f603d97f0f7081b8d2012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - ESI-QFT 10V, negativesplash10-0002-0900000000-d3ae016121d86e17ddb42020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - ESI-QFT 13V, negativesplash10-0002-1900000000-3e340243a54a9e3f0da42020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - ESI-QFT 19V, negativesplash10-00dm-8900000000-82e846f2a3546e27414c2020-07-21View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 6V, negativesplash10-0002-0900000000-844f0c545c66f6c639932020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, negativesplash10-0a4i-0900000000-d30a5d305446b3540d852020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - 40V, Negativesplash10-001i-2900000000-4e6c9c70215576f53b602021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 30V, Negativesplash10-001i-2900000000-eeb06bc7587fcef0ba862021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-a8236f8b0194b3d088442021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-be4566e335ee9b00c7242021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-fde7d3d2a42203ba2b952021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-92d1da1fba9df31389ed2021-09-20View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0900000000-32e3f430e6dfc819272b2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-2900000000-19305d290c7303afc3f52016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0pw9-7900000000-b0fcecf9ea71d35284082016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-1b21dedfdc78e416ea8f2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-43b3e1a99ba193849bf42016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0532-3900000000-a152936b0bcf0d3200922016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-052f-9800000000-947167dd66d5b69474162021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9600000000-df6822dada158a51482c2021-09-22View Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)Spectrum
1D NMR13C NMR Spectrum (1D, 25.16 MHz, CDCl3, experimental)Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Spectrum
ChemSpider ID21105998
ChEMBL IDCHEMBL29411
KEGG Compound IDC09908
Pubchem Compound ID6989
Pubchem Substance IDNot Available
ChEBI ID27607
Phenol-Explorer ID671
DrugBank IDDB02513
HMDB IDHMDB01878
CRC / DFC (Dictionary of Food Compounds) IDJVX23-D:JVX23-D
EAFUS ID3678
Dr. Duke IDTHYMOL
BIGG IDNot Available
KNApSAcK IDC00000155
HET IDIPB
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1019911
SuperScent IDNot Available
Wikipedia IDThymol
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
Acaricide22153 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
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
Analgesic35480 An agent that relieves pain by reducing or blocking pain signals in the brain, commonly used to manage acute or chronic pain, inflammation, and fever, with therapeutic applications in surgery, injury, and disease treatment.DUKE
AncylostomicideAn agent that destroys Ancylostoma genus of nematodes, used to treat hookworm infections, reducing intestinal parasite load and alleviating associated symptoms such as anemia and malnutrition.DUKE
AnestheticA 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
Ankylostomacide52217 An agent that kills hookworms, used to treat ankylostomiasis (hookworm infection), reducing intestinal parasitic load and alleviating symptoms such as anemia and weight loss.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-acne50177 An agent that reduces acne symptoms, commonly used in managing acne vulgaris by minimizing oil production, preventing clogged pores, and decreasing bacterial growth, thereby reducing inflammation and promoting healthy skin.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-Alzheimeran52217 An agent that inhibits the progression of Alzheimer's disease, reducing beta-amyloid plaque formation and neuroinflammation. Therapeutically, it improves cognitive function and memory, commonly used in managing mild to moderate Alzheimer's disease and other neurodegenerative disorders.DUKE
Anti-arthritic52217 An agent that reduces joint inflammation and alleviates symptoms of arthritis, commonly used in managing rheumatoid arthritis, osteoarthritis, and other inflammatory joint disorders, to improve mobility and quality of life.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
Anti-bronchitic52217 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 cariogenic52217 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 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 halitosicAn 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-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-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-lepric33282 An agent that combats leprosy, a chronic bacterial infection. It plays a biological role in inhibiting the growth of Mycobacterium leprae, reducing inflammation and nerve damage. Therapeutically, anti-leprics are used to treat leprosy, preventing disability and disfigurement, with key medical uses including multidrug therapy regimens to cure the disease.DUKE
Anti-melanomic35610 An agent that inhibits melanin production, reducing melanoma cell growth. It has therapeutic applications in treating skin cancers, particularly melanoma, and key medical uses include preventing tumor progression and metastasis, as well as managing pigmentation disorders.DUKE
Anti neuritic52217 An agent that protects nerve tissue, reducing inflammation and promoting nerve regeneration. It plays a biological role in maintaining nerve health and has therapeutic applications in treating conditions such as neuritis, neuralgia, and neuropathy, with key medical uses including pain management and nerve damage repair.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 periodonticAn agent that prevents or treats periodontal disease, reducing inflammation and infection in the gums and supporting tissues of the teeth, commonly used in managing periodontitis, gingivitis, and promoting oral health.DUKE
Anti-plaqueAn 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 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-rheumatic52217 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-salmonella33282 An agent that targets and eliminates Salmonella bacteria, reducing the risk of food poisoning and gastrointestinal infections. Therapeutically, it is used to treat salmonellosis, a disease caused by Salmonella infection, and to prevent outbreaks in high-risk individuals, such as those with weakened immune systems.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-spasmodic52217 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-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-streptococcic33282 An agent that targets and combats Streptococcus bacteria, reducing infection and inflammation. Therapeutically, it is used to treat streptococcal infections, such as strep throat and skin infections, and to prevent complications like rheumatic fever.DUKE
Anti-trichinosic33281 An agent that treats trichinosis, a parasitic infection caused by Trichinella spiralis. It kills or expels the parasite, reducing symptoms and preventing complications. Therapeutically, it's used to manage trichinosis, often in combination with other medications, to alleviate muscle pain, fever, and gastrointestinal issues. Key medical uses include treating infected individuals and preventing disease progression.DUKE
Anti-tussive52217 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
AtaxigenicAn agent that induces ataxia, or loss of muscle coordination. Its biological role involves disrupting motor control pathways. Therapeutically, ataxigenic agents have limited applications, but may be used in research to study motor disorders or as a potential treatment for conditions like dystonia, where intentional disruption of abnormal motor patterns is desired. Key medical uses are primarily experimental, with potential applications in neurology and movement disorder research.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
CarminativeAn agent that prevents or relieves gas in the gastrointestinal tract, facilitating its expulsion and combating flatulence, commonly used to soothe digestive issues and alleviate symptoms of bloating and discomfort.DUKE
CounterirritantAn 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
CulicideAn agent that destroys mosquitoes, playing a crucial role in preventing the spread of mosquito-borne diseases. Its therapeutic applications include vector control, and key medical uses include preventing malaria, dengue fever, and Zika virus transmission.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
DentifriceAn 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
DeodorantA substance that removes or conceals unpleasant smells, especially bodily odors, playing a hygienic role in reducing sweat-induced bacteria growth, with therapeutic applications in managing body odor disorders, and key medical uses in treating hyperhidrosis and bromhidrosis.DUKE
DermatitigenicAn agent that causes inflammation of the skin (dermatitis), triggering allergic reactions and immune responses. Its biological role involves activating immune cells, leading to skin irritation. Therapeutically, it is used to test skin sensitivity and develop treatments for dermatitis. Key medical uses include diagnosing skin allergies and researching dermatitis treatments.DUKE
EnterorelaxantAn agent that reduces or inhibits the movement of intestinal muscles, relieving spasms and cramps. Therapeutically, it's used to treat irritable bowel syndrome, diarrhea, and other gastrointestinal disorders, providing relief from abdominal pain and discomfort.DUKE
Enterotoxic52209 A substance that induces intestinal secretion and diarrhea, often used to study gastrointestinal function. Its biological role involves stimulating intestinal fluid and electrolyte secretion. Therapeutically, enterotoxic agents have applications in treating constipation and bowel obstruction, with key medical uses including laxative and bowel preparation formulations.DUKE
Expectorant52217 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
Name48318 flavorDUKE
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
GastroirritantA substance that causes irritation to the stomach lining, leading to discomfort and potential injury. It has no therapeutic applications, but understanding its effects can help manage gastrointestinal disorders, such as ulcers and acid reflux, by avoiding trigger foods.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
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
Insectifuge24852 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
IrritantAn 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
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
Molluscicide33904 An agent that kills mollusks, particularly snails and slugs, playing a key role in controlling vectors of parasitic diseases. Therapeutically, it is used to prevent the spread of schistosomiasis and other snail-borne diseases, with medical applications in public health and epidemiology.DUKE
MyorelaxantAn 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
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
Perfumery48318 The art of creating fragrances, playing a biological role in emotional and sensory stimulation. Therapeutically, perfumery has applications in aromatherapy, reducing stress and anxiety. Key medical uses include mood enhancement, pain management, and promoting relaxation, with certain scents exhibiting anti-anxiety and anti-depressant properties.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
Sedative35717 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
Sprout inhibitor35222 A plant growth regulator that suppresses seed germination and sprouting, used to extend shelf life of stored potatoes and other tubers. Therapeutically, it has applications in cancer treatment, inhibiting angiogenesis and tumor growth. Key medical uses include anti-cancer and anti-angiogenic therapies.DUKE
TracheorelaxantAn agent that relaxes tracheal smooth muscle, easing breathing by reducing airway resistance, commonly used to treat respiratory conditions such as asthma and chronic obstructive pulmonary disease (COPD).DUKE
TrichomonicideAn agent that kills Trichomonas organisms, used to treat Trichomonas vaginalis infections, commonly causing vaginitis, and other related genital tract infections.DUKE
Urinary antisepticAn agent that prevents the growth of microorganisms in urine, reducing the risk of urinary tract infections (UTIs). Therapeutically, it helps manage and prevent UTIs, commonly used to treat conditions such as cystitis and pyelonephritis.DUKE
VarroacideAn agent that kills parasitic mites, primarily used to control Varroa mite infestations in bee colonies, promoting bee health and preventing colony collapse.DUKE
VermicideAn agent that kills worms, playing a biological role in parasite control. Therapeutically, it is used to treat worm infestations, with key medical applications including the treatment of intestinal worms, hookworms, and other parasitic infections.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
herbal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
thyme
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
phenolic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
medicinal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
camphor
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
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).
— Rothwell JA, Pérez-Jiménez J, Neveu V, Medina-Ramon A, M'Hiri N, Garcia Lobato P, Manach C, Knox K, Eisner R, Wishart D, Scalbert A. (2013) Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content. Database, 10.1093/database/bat070.
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.