Azulene is a non-benzenoid aromatic compound with a deep blue color. It is structurally similar to naphthalene, but with a five-membered ring replacing one of the six-membered rings. Azulene is a natural product, isolated from various plants and essential oils, and also synthesized in the lab. Its unusual structure and electronic properties, including a significant dipole moment, make it an object of study in organic chemistry. Azulene exhibits anti-inflammatory, anti-bacterial, and anti-tumor activity, leading to research into its medicinal potential. Its unique spectral properties also find applications in dyes and optical materials.'
| ID Source | ID |
|---|---|
| PubMed CID | 9231 |
| CHEMBL ID | 3272628 |
| CHEBI ID | 31249 |
| MeSH ID | M0047123 |
| Synonym |
|---|
| azunamic |
| nsc-89248 |
| nsc89248 |
| bicyclo[5.3.0]-1,5,7,9-decapentaene |
| AKOS015840881 |
| bicyclo[5.3.0]decapentaene |
| cyclopentacycloheptene |
| azulen |
| CHEBI:31249 , |
| 275-51-4 |
| inchi=1/c10h8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8 |
| azulene , |
| bicyclo(5.3.0)decapentaene |
| nsc 89248 |
| bicyclo(5.3.0)-1,3,5,7,9-decapentaene |
| einecs 205-993-6 |
| bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene |
| azulene, 99% |
| A0634 |
| 82r6m9mglp , |
| unii-82r6m9mglp |
| D09768 |
| azulene (jan) |
| A819116 |
| FT-0622537 |
| azulene [mart.] |
| bicyclo-(0.3.5)-deca-1,3,5,7,9-pentaene |
| azulene [mi] |
| azulene [inci] |
| azulene [jan] |
| bicyclo-(5.3.0)-deca-2,4,6,8,10-pentaene |
| azulene [who-dd] |
| CHEMBL3272628 |
| DTXSID2059770 |
| bicyclo(0.3.5)deca-1,3,5,7,9-pentaene |
| azusalen [as sodium sulfonate] |
| mfcd00003810 |
| bicyclo(5.3.0)-deca-1,3,5,7,9-pentaene |
| sr-01000944574 |
| SR-01000944574-1 |
| azulene, standard for gc, >=99.0% (gc) |
| azulene, analytical standard |
| J-016811 |
| bicyclo[5.3.0]deca-2,4,6,8,10-pentaene |
| CS-0006517 |
| Q144362 |
| CS-15638 |
| C13408 |
| HY-B0055 |
Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. It could be used as a biphenyl mimetic in known orexin receptor agonist Nag 26.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. " | ( The azulene scaffold from a medicinal chemist's perspective: Physicochemical and in vitro parameters relevant for drug discovery. Kley, JT; Leino, TO; Sieger, P; Wallén, EAA; Yli-Kauhaluoma, J, 2022) | 2.72 |
| "Azulene is a rare ring structure in drugs, and we investigated whether it could be used as a biphenyl mimetic in known orexin receptor agonist Nag 26, which is binding to both orexin receptors OX" | ( Azulene as a biphenyl mimetic in orexin/hypocretin receptor agonists. Adhikari, K; Kukkonen, JP; Leino, TO; Oksanen, J; Steynen, Y; Turku, A; Urvas, L; Wallén, EAA; Xhaard, H; Yli-Kauhaluoma, J, 2023) | 3.8 |
| "Azulene is a hydrocarbon isomer of naphthalene known for its unusual colour and fluorescence properties. " | ( Azulene-A Bright Core for Sensing and Imaging. Lewis, SE; Murfin, LC, 2021) | 3.51 |
| Excerpt | Relevance | Reference |
|---|---|---|
| " However, before these agents are recommended for general use, large multicenter trials should be done exploring not only efficacy but also dose-response relationships and side effects." | ( Novel preoperative pharmacologic methods of preventing postoperative sore throat due to tracheal intubation. Austin, PN; Kalil, DM; Silvestro, LS, 2014) | 0.4 |
| Product Category | Products |
|---|---|
| Beauty & Personal Care | 2 |
| Product | Brand | Category | Compounds Matched from Ingredients | Date Retrieved |
|---|---|---|---|---|
| Aloe Life Skin Gel Ultimate Skin Treatment Unscented -- 1 oz | Aloe Life | Beauty & Personal Care | citric acid, allantoin, ascorbic acid, azulene, citric acid, tocopherol, tocopherol, vitamin E, glycerin, retinol | 2024-11-29 10:47:42 |
| Gabriel Gentle Eye Makeup Remover -- 3.3 oz | Gabriel | Beauty & Personal Care | azulene, guaiazulene | 2024-11-29 10:47:42 |
| Role | Description |
|---|---|
| plant metabolite | Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| volatile oil component | Any plant metabolite that is found naturally as a component of a volatile oil. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| ortho-fused bicyclic arene | |
| azulenes | Any carbobicyclic compound whose skeleton consists of a cyclopentane ring ortho-fused to a cycloheptane ring. |
| mancude carbobicyclic parent | |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1282050 | Antiretroviral activity against HIV-1 based virus like particles infected in U2OS cells assessed as Gluc activity at highest non-toxic concentration | 2016 | Bioorganic & medicinal chemistry, Apr-15, Volume: 24, Issue:8 | Antiretroviral (HIV-1) activity of azulene derivatives. |
| AID1282049 | Cytotoxicity against human U2OS cells assessed as cell viability at highest non-toxic concentration | 2016 | Bioorganic & medicinal chemistry, Apr-15, Volume: 24, Issue:8 | Antiretroviral (HIV-1) activity of azulene derivatives. |
| AID1149946 | Inhibition of alpha-chymotrypsin (unknown origin) | 1977 | Journal of medicinal chemistry, Nov, Volume: 20, Issue:11 | Quantitative structure-activity relationship of chymotrypsin-ligand interactions. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 74 (43.02) | 18.7374 |
| 1990's | 8 (4.65) | 18.2507 |
| 2000's | 43 (25.00) | 29.6817 |
| 2010's | 36 (20.93) | 24.3611 |
| 2020's | 11 (6.40) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.
| This Compound (50.22) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 2 (1.11%) | 5.53% |
| Reviews | 4 (2.22%) | 6.00% |
| Case Studies | 3 (1.67%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 171 (95.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| 3-phenylpropionic acid 3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 1.95 | 1 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| 4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2 | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
| benzaldehyde [no description available] | 2.21 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
| benzene [no description available] | 2.38 | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.38 | 2 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. | 2 | 1 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
| gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.15 | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
| 3-hydroxybutyric acid 3-Hydroxybutyric Acid: BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.. 3-hydroxybutyric acid : A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. | 2 | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
| methylmalonic acid Methylmalonic Acid: A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.. methylmalonic acid : A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. | 2 | 1 | 0 | C4-dicarboxylic acid | human metabolite |
| histamine [no description available] | 7.33 | 2 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
| hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2.03 | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| naphthalene [no description available] | 3.08 | 5 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
| nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 1.97 | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
| oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. | 2 | 1 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.38 | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.21 | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. | 4.11 | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
| caffeine [no description available] | 2.07 | 1 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
| eucalyptol [no description available] | 2.15 | 1 | 0 | ||
| 4-cresol 4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 4.11 | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
| fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. | 2.03 | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
| guaiazulene guaiazulene: structure | 7.97 | 4 | 0 | sesquiterpene | |
| lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. | 4.11 | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. | 4.11 | 1 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| methacrylic acid methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group. | 2.01 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection. | 2.13 | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
| oxatomide oxatomide: structure; an anti-allergic & an anti-asthmatic. oxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. | 2.01 | 1 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
| 4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. | 1.95 | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
| alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 2.81 | 3 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
| apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | 2.05 | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
| tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 2.54 | 2 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| cyclopropane cyclopropane : A cycloalkane composed of three carbon atoms to form a ring. | 2 | 1 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
| quinic acid (-)-quinic acid : The (-)-enantiomer of quinic acid. | 2.04 | 1 | 0 | ||
| azobis(isobutyronitrile) azobis(isobutyronitrile): blowing agent for elastomers & plastics; initiator for free radical reactions; structure | 2.01 | 1 | 0 | ||
| pantothenic acid Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration. | 4.11 | 1 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
| thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene. | 2.21 | 1 | 0 | monoterpenoid; phenols | volatile oil component |
| diphenyl diphenyl: RN given refers to unlabeled cpd; structure | 2.6 | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| 2-naphthoic acid 2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2. | 1.95 | 1 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
| propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 2 | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
| indene indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. | 1.95 | 1 | 0 | indene; ortho-fused bicyclic arene | |
| ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. | 2.01 | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
| 4-tert-butylbenzoic acid 4-tert-butylbenzoic acid: RN given refers to parent cpd | 1.95 | 1 | 0 | alkylbenzene | |
| nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 1.95 | 1 | 0 | nitroarene; nitrobenzenes | |
| 3-toluic acid 3-toluic acid: RN given refers to parent cpd; structure | 1.95 | 1 | 0 | methylbenzoic acid | human xenobiotic metabolite |
| carvone carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. | 2.07 | 1 | 0 | botanical anti-fungal agent; carvones | allergen |
| 4-toluic acid 4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4. | 1.95 | 1 | 0 | methylbenzoic acid | |
| 4-anisic acid 4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4. | 2 | 1 | 0 | methoxybenzoic acid | plant metabolite |
| ethylbenzene [no description available] | 1.95 | 1 | 0 | alkylbenzene | |
| 4-toluidine 4-toluidine: RN given refers to parent cpd. p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group. | 2.02 | 1 | 0 | aminotoluene | |
| acrolein [no description available] | 2.21 | 1 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
| chlorobenzene [no description available] | 1.95 | 1 | 0 | monochlorobenzenes | solvent |
| cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 2.15 | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
| pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 1.95 | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
| pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2 | 1 | 0 | pyrrole; secondary amine | |
| cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond. | 1.95 | 1 | 0 | cycloalkene | |
| anthracene acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 2.69 | 3 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
| acenaphthylene acenaphthylene: RN given refers to parent cpd. acenaphthylene : A ortho- and peri-fused tricyclic hydrocarbon that occurs in coal tar. | 8.27 | 1 | 0 | acenaphthylenes; ortho- and peri-fused polycyclic arene; ortho- and peri-fused tricyclic hydrocarbon | |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 6.31 | 12 | 1 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| hydrazine diamine : Any polyamine that contains two amino groups. | 2.41 | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| propadiene [no description available] | 2 | 1 | 0 | allenes | |
| tropolone Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. | 2.47 | 2 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
| tropone [no description available] | 7.47 | 2 | 0 | ||
| malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. | 1.98 | 1 | 0 | dialdehyde | biomarker |
| benzydamine Benzydamine: A benzyl-indazole having analgesic, antipyretic, and anti-inflammatory effects. It is used to reduce post-surgical and post-traumatic pain and edema and to promote healing. It is also used topically in treatment of RHEUMATIC DISEASES and INFLAMMATION of the mouth and throat.. benzydamine : A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties. | 4.11 | 1 | 0 | aromatic ether; indazoles; tertiary amino compound | analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug |
| 4-nitrophenyl acetate [no description available] | 1.95 | 1 | 0 | C-nitro compound; phenyl acetates | |
| ethyl n-alpha-acetyl-tyrosinate ethyl N-alpha-acetyl-tyrosinate: RN given refers to parent cpd. ethyl N-acetyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine. | 1.95 | 1 | 0 | acetamides; ethyl ester; L-tyrosine derivative; phenols | |
| hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol. | 2.01 | 1 | 0 | enoate ester | allergen; polymerisation monomer |
| diethyl acetamidomalonic acid diethyl acetamidomalonic acid: RN given refers to unlabeled parent cpd | 1.95 | 1 | 0 | ||
| methyl hippurate methyl hippurate : A glycine derivative that is the methyl ester of hippuric acid. | 1.95 | 1 | 0 | glycine derivative; methyl ester | metabolite |
| n-benzyloxycarbonylglycine 4-nitrophenyl ester N-benzyloxycarbonylglycine 4-nitrophenyl ester: hydrolyzed by papain | 1.95 | 1 | 0 | ||
| limonene Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. | 2 | 1 | 0 | cycloalkene; p-menthadiene | human metabolite |
| palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 2.1 | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
| rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.42 | 2 | 0 | cobalt group element atom | |
| ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM. | 2.01 | 1 | 0 | iron group element atom; platinum group metal atom | |
| chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24. | 7.21 | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
| gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 2.1 | 1 | 0 | copper group element atom; elemental gold | |
| ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion. | 7.01 | 1 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
| phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.11 | 1 | 0 | benzenes; phenyl acetates | |
| nonanal nonanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. | 2.21 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
| pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. | 7.08 | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
| alkenes [no description available] | 2.01 | 1 | 0 | ||
| substance p [no description available] | 2.01 | 1 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available] | 2.15 | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
| trifluoromethanesulfonic acid trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. | 2.01 | 1 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
| glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 2.08 | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
| beta-tetralone [no description available] | 2.11 | 1 | 0 | ||
| hederagenin [no description available] | 2.6 | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
| 4-nitrophenyl propionate [no description available] | 1.95 | 1 | 0 | ||
| 4-nitrophenyl butyrate p-nitrophenyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. | 1.95 | 1 | 0 | butyrate ester; C-nitro compound | |
| phenyl hippurate [no description available] | 1.95 | 1 | 0 | ||
| benzoyltyrosine ethyl ester ethyl N-benzoyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine. | 1.95 | 1 | 0 | benzamides; ethyl ester; L-tyrosine derivative; phenols | chromogenic compound |
| coenzyme a [no description available] | 2.6 | 1 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
| n-acetylphenylalanine ethyl ester N-acetylphenylalanine ethyl ester: RN given refers to (L)-isomer | 1.95 | 1 | 0 | ||
| glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form. | 2.41 | 2 | 0 | D-glucuronic acid | algal metabolite |
| 4-nitrophenyloctanoate [no description available] | 1.95 | 1 | 0 | ||
| 2-hydroxyethyl methacrylate phosphate 2-hydroxyethyl methacrylate phosphate: RN given refers to unknown molecular fragment in Chemline | 2.01 | 1 | 0 | ||
| cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). | 2.01 | 1 | 0 | ||
| maptac MAPTAC: structure in first source | 2.01 | 1 | 0 | ||
| cyclopropene cyclopropene: structure. cyclopropene : A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes. | 2.1 | 1 | 0 | cycloalkene; cyclopropenes | |
| fullerene c60 Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms. | 2.74 | 3 | 0 | fullerene | geroprotector |
| dexpanthenol dexpanthenol: The alcohol of pantothenic acid | 4.11 | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
| fulvene fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes. | 3.82 | 3 | 0 | fulvenes | |
| quinone methide quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group. | 2.02 | 1 | 0 | quinomethane | |
| phytol [no description available] | 2.15 | 1 | 0 | ||
| azidohomoalanine azidohomoalanine: structure in first source | 2.1 | 1 | 0 | ||
| carnosine polaprezinc: stimulates bone growth | 2.03 | 1 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
| betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.02 | 1 | 0 | cyclodextrin | |
| e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2 | 1 | 0 | cinnamic acid | plant metabolite |
| ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2 | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
| 4-nitrophenyl valerate 4-nitrophenyl valerate: structure in first source | 1.95 | 1 | 0 | ||
| 4-nitrophenyl hexanoate [no description available] | 1.95 | 1 | 0 | ||
| cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | 2.21 | 1 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
| retinaldehyde Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.. all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry. | 1.98 | 1 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
| stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 1.93 | 1 | 0 | stilbene | |
| sesquiterpenes [no description available] | 3.52 | 8 | 0 | ||
| dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. | 6.93 | 1 | 0 | ||
| chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 2.04 | 1 | 0 | cinnamate ester; tannin | food component; plant metabolite |
| longifolene longifolene: from plant products; RN given refers to (1S-(1alpha,3abeta,4alpha,8abeta))-isomer; structure given in first source | 6.99 | 1 | 0 | longifolene | |
| hns 32 HNS 32: RN & structure given in first source | 2.01 | 1 | 0 | ||
| rhodamine 123 Rhodamine 123: A fluorescent probe with low toxicity which is a potent substrate for ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 and the bacterial multidrug efflux transporter. It is used to assess mitochondrial bioenergetics in living cells and to measure the efflux activity of ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 in both normal and malignant cells. (Leukemia 1997;11(7):1124-30). rhodamine 123(1+) : A cationic fluorescent dye derived from 9-phenylxanthene. | 2.21 | 1 | 0 | organic cation; xanthene dye | fluorochrome |
| calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 2.06 | 1 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
| thromboxane a2 Thromboxane A2: An unstable intermediate between the prostaglandin endoperoxides and thromboxane B2. The compound has a bicyclic oxaneoxetane structure. It is a potent inducer of platelet aggregation and causes vasoconstriction. It is the principal component of rabbit aorta contracting substance (RCS).. thromboxane A2 : A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation. | 1.99 | 1 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
| rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.34 | 2 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| 15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid: A stable prostaglandin endoperoxide analog which serves as a thromboxane mimetic. Its actions include mimicking the hydro-osmotic effect of VASOPRESSIN and activation of TYPE C PHOSPHOLIPASES. (From J Pharmacol Exp Ther 1983;224(1): 108-117; Biochem J 1984;222(1):103-110) | 1.99 | 1 | 0 | ||
| boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY. | 7.43 | 2 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
| bacteriochlorophylls Bacteriochlorophylls: Pyrrole containing pigments found in photosynthetic bacteria. | 2.1 | 1 | 0 | ||
| chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. | 2.02 | 1 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
| guanacastepene guanacastepene: isolated from an unidentified fungus; structure in first source | 7 | 1 | 0 | ||
| dihydroazulene dihydroazulene: structure in first source | 7.1 | 1 | 0 | ||
| kt2 962 6-isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt: structure given in first source; a prostaglandin endoperoxide receptor antagonist; RN given refers to the mono-sodium salt; RN for parent cpd not available 4/93 | 1.99 | 1 | 0 | ||
| azuletil sodium sodium 3-ethyl-7-isopropyl-1-azulenesulfonate: structure in first source. egualen sodium : An organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers. | 2 | 1 | 0 | organic sodium salt; organosulfonate salt | anti-ulcer drug; thromboxane A2 antagonist |
| sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach. | 2.03 | 1 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
| phthalocyanine phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. | 2.05 | 1 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
| phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 2.07 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| HIV Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2. | 0 | 7.13 | 1 | 0 |
| Encephalopathy, Toxic [description not available] | 0 | 2.41 | 1 | 0 |
| Carcinoma, Epidermoid [description not available] | 0 | 2.41 | 1 | 0 |
| Cancer of Mouth [description not available] | 0 | 2.41 | 1 | 0 |
| Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed) | 0 | 2.41 | 1 | 0 |
| Mouth Neoplasms Tumors or cancer of the MOUTH. | 0 | 2.41 | 1 | 0 |
| Cancer of Pancreas [description not available] | 0 | 3.33 | 4 | 0 |
| Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA). | 0 | 3.33 | 4 | 0 |
| Diabetes Mellitus, Adult-Onset [description not available] | 0 | 2.08 | 1 | 0 |
| Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY. | 0 | 2.08 | 1 | 0 |
| Sore Throat [description not available] | 0 | 3.93 | 1 | 0 |
| Complication, Postoperative [description not available] | 0 | 4.26 | 2 | 0 |
| Pharyngitis Inflammation of the throat (PHARYNX). | 0 | 3.93 | 1 | 0 |
| Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery. | 0 | 4.26 | 2 | 0 |
| Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed) | 0 | 2.04 | 1 | 0 |
| Acute Myelogenous Leukemia [description not available] | 0 | 2.05 | 1 | 0 |
| Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES. | 0 | 2.05 | 1 | 0 |
| Leukemia L5178 An experimental lymphocytic leukemia of mice. | 0 | 2.06 | 1 | 0 |
| Impotence [description not available] | 0 | 2.07 | 1 | 0 |
| Erectile Dysfunction The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction. | 0 | 7.07 | 1 | 0 |
| Eczema, Atopic [description not available] | 0 | 2.66 | 3 | 0 |
| Dermatitis, Atopic A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema. | 0 | 2.66 | 3 | 0 |
| Dermatoses [description not available] | 0 | 2.84 | 4 | 0 |
| Skin Diseases Diseases involving the DERMIS or EPIDERMIS. | 0 | 2.84 | 4 | 0 |
| Asthma, Bronchial [description not available] | 0 | 2.85 | 4 | 0 |
| Rheumatism [description not available] | 0 | 1.93 | 1 | 0 |
| Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL). | 0 | 2.85 | 4 | 0 |
| Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders. | 0 | 3.03 | 5 | 0 |
| Rheumatic Diseases Disorders of connective tissue, especially the joints and related structures, characterized by inflammation, degeneration, or metabolic derangement. | 0 | 1.93 | 1 | 0 |
| Allergic Reaction [description not available] | 0 | 2.62 | 3 | 0 |
| Diseases of Immune System [description not available] | 0 | 2.33 | 2 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 3.31 | 7 | 0 |
| Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen. | 0 | 2.62 | 3 | 0 |
| Immune System Diseases Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both. | 0 | 2.33 | 2 | 0 |
| Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function. | 0 | 3.31 | 7 | 0 |
| Tetraploid [description not available] | 0 | 6.93 | 1 | 0 |
| Benign Neoplasms [description not available] | 0 | 2.34 | 2 | 0 |
| Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms. | 0 | 2.34 | 2 | 0 |
| ENT Diseases [description not available] | 0 | 1.93 | 1 | 0 |
| Gastric Diseases [description not available] | 0 | 2.34 | 2 | 0 |
| Dermatitis Any inflammation of the skin. | 0 | 9.02 | 3 | 1 |
| Dermatitis, Radiation-Induced [description not available] | 0 | 1.93 | 1 | 0 |
| Radiodermatitis A cutaneous inflammatory reaction occurring as a result of exposure to ionizing radiation. | 0 | 6.93 | 1 | 0 |
| Disease A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown. | 0 | 7.34 | 2 | 0 |
| Vaginal Diseases Pathological processes of the VAGINA. | 0 | 1.93 | 1 | 0 |
| Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like. | 0 | 6.93 | 1 | 0 |
| Gastroduodenal Ulcer [description not available] | 0 | 2.34 | 2 | 0 |
| Peptic Ulcer Ulcer that occurs in the regions of the GASTROINTESTINAL TRACT which come into contact with GASTRIC JUICE containing PEPSIN and GASTRIC ACID. It occurs when there are defects in the MUCOSA barrier. The common forms of peptic ulcers are associated with HELICOBACTER PYLORI and the consumption of nonsteroidal anti-inflammatory drugs (NSAIDS). | 0 | 7.34 | 2 | 0 |
| Anaphylactic Reaction [description not available] | 0 | 1.93 | 1 | 0 |
| Circulatory Collapse [description not available] | 0 | 1.93 | 1 | 0 |
| Anaphylaxis An acute hypersensitivity reaction due to exposure to a previously encountered ANTIGEN. The reaction may include rapidly progressing URTICARIA, respiratory distress, vascular collapse, systemic SHOCK, and death. | 0 | 1.93 | 1 | 0 |
| Shock A pathological condition manifested by failure to perfuse or oxygenate vital organs. | 0 | 6.93 | 1 | 0 |
| Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER. | 0 | 1.93 | 1 | 0 |
| Abdominal Migraine [description not available] | 0 | 1.93 | 1 | 0 |
| Migraine Disorders A class of disabling primary headache disorders, characterized by recurrent unilateral pulsatile headaches. The two major subtypes are common migraine (without aura) and classic migraine (with aura or neurological symptoms). (International Classification of Headache Disorders, 2nd ed. Cephalalgia 2004: suppl 1) | 0 | 1.93 | 1 | 0 |
| Hay Fever [description not available] | 0 | 1.93 | 1 | 0 |
| Rhinitis, Allergic, Seasonal Allergic rhinitis that occurs at the same time every year. It is characterized by acute CONJUNCTIVITIS with lacrimation and ITCHING, and regarded as an allergic condition triggered by specific ALLERGENS. | 0 | 1.93 | 1 | 0 |
| Carcinoma, Anaplastic [description not available] | 0 | 1.94 | 1 | 0 |
| Experimental Neoplasms [description not available] | 0 | 1.94 | 1 | 0 |
| Sarcoma 180 An experimental sarcoma of mice. | 0 | 6.94 | 1 | 0 |
| Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer. | 0 | 6.94 | 1 | 0 |
| Dermatitis, Eczematous [description not available] | 0 | 1.93 | 1 | 0 |
| Eczema A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed). | 0 | 6.93 | 1 | 0 |
| Nasal Catarrh [description not available] | 0 | 1.92 | 1 | 0 |
| Ozena [description not available] | 0 | 1.92 | 1 | 0 |
| Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes. | 0 | 1.92 | 1 | 0 |
| Connective Tissue Diseases A heterogeneous group of disorders, some hereditary, others acquired, characterized by abnormal structure or function of one or more of the elements of connective tissue, i.e., collagen, elastin, or the mucopolysaccharides. | 0 | 1.92 | 1 | 0 |
| Rhinitis Inflammation of the NASAL MUCOSA, the mucous membrane lining the NASAL CAVITIES. | 0 | 1.92 | 1 | 0 |
| Rhinitis, Atrophic A chronic inflammation in which the NASAL MUCOSA gradually changes from a functional to a non-functional lining without mucociliary clearance. It is often accompanied by degradation of the bony TURBINATES, and the foul-smelling mucus which forms a greenish crust (ozena). | 0 | 1.92 | 1 | 0 |
| Experimental Radiation Injuries [description not available] | 0 | 1.93 | 1 | 0 |
| Pericementitis [description not available] | 0 | 2.02 | 1 | 0 |
| Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology) | 0 | 2.02 | 1 | 0 |
| Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms. | 0 | 2.03 | 1 | 0 |
| Mouth Ulcer [description not available] | 0 | 2.03 | 1 | 0 |
| Mucositis, Oral [description not available] | 0 | 2.03 | 1 | 0 |
| Stomatitis INFLAMMATION of the soft tissues of the MOUTH, such as MUCOSA; PALATE; GINGIVA; and LIP. | 0 | 2.03 | 1 | 0 |
| Oral Ulcer A loss of mucous substance of the mouth showing local excavation of the surface, resulting from the sloughing of inflammatory necrotic tissue. It is the result of a variety of causes, e.g., denture irritation, aphthous stomatitis (STOMATITIS, APHTHOUS); NOMA; necrotizing gingivitis (GINGIVITIS, NECROTIZING ULCERATIVE); TOOTHBRUSHING; and various irritants. (From Jablonski, Dictionary of Dentistry, 1992, p842) | 0 | 2.03 | 1 | 0 |
| Disease Exacerbation [description not available] | 0 | 2.03 | 1 | 0 |
| Recrudescence [description not available] | 0 | 2.03 | 1 | 0 |
| Remission, Spontaneous A spontaneous diminution or abatement of a disease over time, without formal treatment. | 0 | 2.03 | 1 | 0 |
| Hypogammaglobulinemia [description not available] | 0 | 2.03 | 1 | 0 |
| Agammaglobulinemia An immunologic deficiency state characterized by an extremely low level of generally all classes of gamma-globulin in the blood. | 0 | 2.03 | 1 | 0 |
| Acute Post-operative Pain [description not available] | 0 | 1.96 | 1 | 0 |
| Pain, Postoperative Pain during the period after surgery. | 0 | 1.96 | 1 | 0 |
| Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue. | 0 | 6.96 | 1 | 0 |
| Parodontosis [description not available] | 0 | 3.34 | 1 | 1 |
| Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT. | 0 | 3.34 | 1 | 1 |
| Death, Sudden The abrupt cessation of all vital bodily functions, manifested by the permanent loss of total cerebral, respiratory, and cardiovascular functions. | 0 | 1.99 | 1 | 0 |
| Drug-Induced Stevens Johnson Syndrome [description not available] | 0 | 1.99 | 1 | 0 |
| Stevens-Johnson Syndrome Rare cutaneous eruption characterized by extensive KERATINOCYTE apoptosis resulting in skin detachment with mucosal involvement. It is often provoked by the use of drugs (e.g., antibiotics and anticonvulsants) or associated with PNEUMONIA, MYCOPLASMA. It is considered a continuum of Toxic Epidermal Necrolysis. | 0 | 1.99 | 1 | 0 |
| B16 Melanoma [description not available] | 0 | 1.99 | 1 | 0 |
| Dermatitis Medicamentosa [description not available] | 0 | 1.96 | 1 | 0 |
| Cheilitis Inflammation of the lips. It is of various etiologies and degrees of pathology. | 0 | 6.96 | 1 | 0 |