Showing Compound Salicylic acid (FDB000882)

Record Information

Version

1.0

Creation date

2010-04-08 22:04:45 UTC

Update date

2025-11-18 22:25:39 UTC

Primary ID

FDB000882

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Salicylic acid

Description

Preservative, fungicide (superseded), prohibited in milk and wine Salicylic acid is a colorless, crystalline organic carboxylic acid. Salicylic acid is toxic if ingested in large quantities, but in small quantities is used as a food preservative and antiseptic in toothpaste. It is also the key additive in many skin-care products for the treatment of acne, psoriasis, callouses, corns, keratosis pilaris and warts. The carboxyl group (COOH) can react with alcohols, forming several useful esters. The name derives from the latin word for the willow tree (Salix), from whose bark it can be obtained.; --Wikipedia; Salicylic acid treats acne by causing skin cells to slough off more readily, preventing pores from clogging up. This effect on skin cells also makes salicylic acid an active ingredient in several shampoos meant to treat dandruff. Use of straight salicylic solution may cause hyperpigmentation on unpretreated skin for those with darker skin types (Fitzpatrick phototypes IV, V, VI), as well as with the lack of use of a broad spectrum sunblock. Subsalicylate in combination with bismuth form the popular stomach relief aid known commonly as Pepto-Bismol. When combined the two key ingredients help control diarrhea, nausea, heartburn, and even gas. It is also very mildly anti-biotic. Salicylic acid is found in many foods, some of which are sourdock, horned melon, sesame, and cloud ear fungus.

CAS Number

69-72-7

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
2-Carboxyphenol	ChEBI
2-HYDROXYBENZOIC ACID	ChEBI
O-Carboxyphenol	ChEBI
O-Hydroxybenzoic acid	ChEBI
2-HYDROXYBENZOate	Generator
O-Hydroxybenzoate	Generator
Salicylate	Generator
2 Hydroxybenzoic acid	MeSH
Acid, 2-hydroxybenzoic	MeSH
Acid, salicylic	MeSH
Acid, O-hydroxybenzoic	MeSH
Acid, ortho-hydroxybenzoic	MeSH
O Hydroxybenzoic acid	MeSH
Ortho hydroxybenzoic acid	MeSH
Ortho-hydroxybenzoic acid	MeSH
2-Hydroxybenzenecarboxylate	HMDB
2-Hydroxybenzenecarboxylic acid	HMDB
Advanced pain relief callus removers	HMDB
Advanced pain relief corn removers	HMDB
Clear away wart remover	HMDB
Compound W	HMDB
Dr. scholl's callus removers	HMDB
Dr. scholl's corn removers	HMDB
Dr. scholl's wart remover kit	HMDB
Duofil wart remover	HMDB
Duoplant	HMDB
Freezone	HMDB
Ionil	HMDB
Ionil plus	HMDB
K 537	HMDB
K 557	HMDB
Phenol-2-carboxylate	HMDB
Phenol-2-carboxylic acid	HMDB
Psoriacid-S-stift	HMDB
Retarder W	HMDB
Rutranex	HMDB
Salicylic acid collodion	HMDB
Salicylic acid soap	HMDB
Saligel	HMDB
Salonil	HMDB
Stri-dex	HMDB
trans-Ver-sal	HMDB
SA	PhytoBank
2 Hydroxybenzoic Acid	biospider
2-Hydroxybenzoate	biospider
54-21-7 (SODIUM SALT)	biospider
Acid, 2-Hydroxybenzoic	biospider
Acid, o-hydroxybenzoic	biospider
Acido salicilico	biospider
Acidum salicylicum	biospider
Alpha/beta hydroxy acids (glycolic acid, salicylic acid)	biospider
Benzoic acid, 2-hydroxy-	biospider
Benzoic acid, 2-hydroxy- (9CI)	biospider
Benzoic acid, o-hydroxy-	biospider
Compound w	biospider
Domerine	biospider
DR. scholl's callus removers	biospider
DR. scholl's corn removers	biospider
DR. scholl's wart remover kit	biospider
Duofilm	biospider
Ionil-plus	biospider
Keralyt	biospider
O hydroxybenzoic acid	biospider
O-carboxyphenol	biospider
O-hydroxybenzoate	biospider
O-hydroxybenzoic acid	biospider
Occlusal	biospider
Orthohydroxybenzoic acid	biospider
Pernox	biospider
phenol derivative, 7	biospider
Psoriacid-s-stift	biospider
Retarder sax	biospider
Retarder w	biospider
SAL	biospider
Salicyclic acid	biospider
Salicylic acid	db_source
Salicylic acid (6CI,8CI)	biospider
Salicylic acid (see also alpha hydroxy acids)	biospider
Salicylic acid [usan:jan]	biospider
Salicylic acid, acs	biospider
SAX	biospider
Sebucare	biospider
Sebulex	biospider
Trans-ver-sal	biospider
Verrugon	biospider

Predicted Properties

Property	Value	Source
Water Solubility	11.3 g/L	ALOGPS
logP	1.96	ALOGPS
logP	1.98	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	2.79	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.3 m³·mol⁻¹	ChemAxon
Polarizability	12.81 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C7H6O3

IUPAC name

2-hydroxybenzoic acid

InChI Identifier

InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

YGSDEFSMJLZEOE-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=CC=CC=C1O

Average Molecular Weight

138.122

Monoisotopic Molecular Weight

138.031694053

Classification

Description

Belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Substituents

Salicylic acid
Benzoic acid
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Vinylogous acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monohydroxybenzoic acid (CHEBI:16914 )

Ontology

Foods

Cocoa and cocoa products

Grains:

Cereal products:

Whole grain cereal products

Nuts and legumes:

Fruits and vegetables:

Fats and oils:

Oils:

Vegetable oils:

Olive oil

Beverages:

Coffee products

Alcohols:

Fermented alcohols:

Wine:

Red wine

Infusions:

Tea products

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	C 60.87%; H 4.38%; O 34.75%	DFC
Melting Point	Mp 159°	DFC
Boiling Point	Bp20 211°	DFC
Experimental Water Solubility	2.24 mg/mL at 25 oC	YALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP	2.26	HANSCH,C ET AL. (1995)
Experimental pKa	pKa2 13.6 (25°)	DFC
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	302 () (MeOH) (Berdy)	DFC
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
EI-MS	Mass Spectrum (Electron Ionization)	splash10-00du-9600000000-6d4a0ff2d48d814b5c54	2014-09-20	View Spectrum
GC-MS	Salicylic acid, 2 TMS, GC-MS Spectrum	splash10-014i-3890000000-62eae168a9d7ab3ada6f	Spectrum
GC-MS	Salicylic acid, non-derivatized, GC-MS Spectrum	splash10-00du-9700000000-e1e2ee6b61d86c596403	Spectrum
GC-MS	Salicylic acid, non-derivatized, GC-MS Spectrum	splash10-014i-3890000000-62eae168a9d7ab3ada6f	Spectrum
GC-MS	Salicylic acid, non-derivatized, GC-MS Spectrum	splash10-014i-2960000000-1b6b46cbb2b643b71448	Spectrum
Predicted GC-MS	Salicylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0079-8900000000-e8ee46d81fcc1ce3766e	Spectrum
Predicted GC-MS	Salicylic acid, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-006x-8950000000-9ed3a56f2b2654ba281f	Spectrum
Predicted GC-MS	Salicylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Salicylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)	splash10-059j-9600000000-54545731fceee84be340	2012-07-24	View Spectrum
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-00xu-9500000000-2f1c989b672669aaf083	2012-07-24	View Spectrum
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-0gb9-9000000000-a0049e982e8ecd7ab730	2012-07-24	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-000i-0900000000-f1e71df6894bcc8dda74	2012-08-31	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0006-9200000000-f9fd317c182ec7ca90dc	2012-08-31	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0006-9000000000-2b17aea4ee0ddd6321cf	2012-08-31	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-0006-9000000000-320b7cd879b61439cf42	2012-08-31	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-7d1b96d60026076a7ecc	2012-08-31	View Spectrum
MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-002b-0496100000-97708001d2a6d031beff	2017-08-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-002b-0496100000-97708001d2a6d031beff	2017-08-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-002b-0496100000-97708001d2a6d031beff	2017-09-12	View Spectrum
MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-000i-0900000000-f88c693bac9b89416a52	2017-09-12	View Spectrum
MS/MS	LC-MS/MS Spectrum - DI-ESI-qTof , Positive	splash10-00di-0900000000-2aeace8112266d938c2b	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9400000000-b0fb5458dfa73429b976	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9400000000-b0fb5458dfa73429b976	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9100000000-237ee14e8af5262c0dab	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9000000000-3ec5d7a9114e37b8af2a	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9000000000-d8fdab29114453b10280	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0006-9000000000-4a337e3639c9f42a9000	2017-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-2900000000-23d1cf43d4dedc979389	2016-09-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0076-8900000000-f8b39b175209523386d0	2016-09-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9000000000-549ee40f4c3d2a965b2d	2016-09-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000l-6900000000-06bd3bf75f92d507fd8d	2016-09-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9100000000-fd107d170618784f2f1f	2016-09-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-3fc7a3b941f5e3e4f7dd	2016-09-12	View Spectrum

NMR

Type	Description	View
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)	Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	Spectrum

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

Phenol-Explorer ID

DrugBank ID

HMDB ID

CRC / DFC (Dictionary of Food Compounds) ID

BLP36-T:BLP36-T

EAFUS ID

3361

Dr. Duke ID

O-HYDROXYBENZOIC-ACID|SALICYLIC-ACID

BIGG ID

Not Available

KNApSAcK ID

C00000206

HET ID

SAL

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1097271

SuperScent ID

Not Available

Wikipedia ID

Salicylic acid

Phenol-Explorer Metabolite ID

428

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Descriptor	ID	Definition	Reference
Aldose reductase inhibitor	48550	An agent that blocks the activity of aldose reductase, an enzyme involved in glucose metabolism. It reduces oxidative stress and inflammation, commonly used in managing diabetic complications, such as neuropathy, nephropathy, and retinopathy.	DUKE
Analgesic	35480	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
Anti-arthritic	52217	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 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-dandruff		An agent that reduces the production or flaking of dandruff, treating scalp conditions like seborrheic dermatitis, psoriasis, and eczema, by inhibiting fungal growth and inflammation, promoting a healthy scalp.	DUKE
Anti-dermatotic	50177	An agent that prevents or treats skin infections, reducing fungal or bacterial growth. It is used therapeutically to manage dermatological conditions such as acne, eczema, and fungal infections, promoting healthy skin and preventing further irritation or inflammation.	DUKE
Anti eczemic	52217	An agent that reduces inflammation and itching, commonly used to manage eczema symptoms, atopic dermatitis, and other skin allergies, providing relief and preventing flare-ups.	DUKE
Anti ichthyosic		An agent that prevents or relieves severely dry, scaly skin caused by ichthyosis, promoting skin hydration and reducing scaling, with therapeutic applications in managing ichthyosis and other dry skin conditions.	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 neuralgic	52217	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 oncychomycotic		An agent that acts against fungal infections of the nails, treating onychomycosis. Therapeutically, it inhibits fungal growth, promoting healthy nail formation. Key medical uses include treating nail fungus, athlete's foot, and ringworm, improving nail appearance and preventing infection spread.	DUKE
Anti-oxidant	22586	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 periodic		An agent that prevents regular recurrence of disease symptoms, such as in malaria, playing a crucial role in managing and treating infectious diseases, with therapeutic applications in reducing symptom severity and frequency, and key medical uses in prophylactic and treatment regimens for periodic diseases.	DUKE
Anti-podagric		An agent that controls uric acid metabolism, used to treat gout (podagra) by reducing uric acid levels, alleviating symptoms and preventing attacks.	DUKE
Anti-psoriac	52217	An agent that reduces psoriasis symptoms, commonly used in managing plaque psoriasis, scalp psoriasis, and other inflammatory skin conditions, by inhibiting cell growth, reducing inflammation, and modulating the immune system.	DUKE
Anti pyretic	35493	An agent that reduces fever, commonly used to relieve headache, pain, and discomfort associated with elevated body temperature, and to manage fever in various medical conditions, such as infections and inflammatory diseases.	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-seborrheic	52217	An agent that reduces seborrheic dermatitis symptoms, commonly used in managing scalp and skin conditions, such as dandruff, itching, and flaking, by inhibiting fungal growth and inflammation.	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
Antitumor	35610	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 tympanitic		An agent that prevents gas accumulation in the intestine or peritoneal cavity, reducing abdominal distension. Its biological role is to regulate gas balance, and its therapeutic applications include relieving bloating and discomfort. Key medical uses include treating gastrointestinal disorders, such as irritable bowel syndrome, and managing post-surgical gas buildup.	DUKE
Cancer preventive	35610	An agent that inhibits the development and progression of cancer, reducing tumor formation and growth. It plays a biological role in blocking carcinogenic pathways, and has therapeutic applications in chemoprevention. Key medical uses include reducing the risk of cancer in high-risk individuals and preventing cancer recurrence.	DUKE
Comedolytic		An agent that resolves or prevents comedones (small skin bumps) by unclogging pores, reducing acne formation. Therapeutically, it is used to treat acne, particularly non-inflammatory types, by preventing new comedone formation and promoting skin clarity. Key medical uses include topical treatments for mild to moderate acne.	DUKE
Cyclooxygenase-2 inhibitor	50629	An agent that blocks the activity of cyclooxygenase-2 (COX-2), reducing inflammation and pain. Therapeutically, it is used to manage conditions such as arthritis, menstrual cramps, and other inflammatory disorders, providing relief from symptoms with reduced gastrointestinal side effects compared to non-selective NSAIDs.	DUKE
Cyclooxygenase inhibitor	35544	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
Dermatitigenic		An 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
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
Hypoglycemic	35526	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
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
Keratolytic		An agent that breaks down excess skin cells, removing warts and other lesions. It plays a biological role in regulating epidermal growth. Therapeutically, it's used to treat hyperkeratotic conditions. Key medical uses include managing warts, calluses, and ichthyosis, promoting skin smoothing and renewal.	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
Thermogenic		An agent that increases heat production through metabolic stimulation, used to enhance weight loss, improve insulin sensitivity, and treat conditions like hypothyroidism and obesity, by stimulating metabolism and energy expenditure.	DUKE
Antifungal agent	52217	Tineacide is an antifungal medication that inhibits fungal growth, commonly used to treat fungal infections such as ringworm, athlete's foot, and jock itch, promoting healthy skin and nail recovery.	DUKE
Ulcerogenic		An agent that causes the production of ulcers, often used to study gastrointestinal disease mechanisms. Its biological role involves disrupting mucosal defense, leading to ulcer formation. Therapeutically, understanding ulcerogenic agents informs the development of anti-ulcer medications. Key medical uses include researching gastric ulcer pathogenesis and testing potential treatments for ulcer prevention and healing.	DUKE

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
faint	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
phenolic	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
nutty	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.