Palladium is a chemical element with the symbol Pd and atomic number 46. It is a rare and lustrous silvery-white metal discovered in 1803 by William Hyde Wollaston. Palladium is a transition metal. It is found in small amounts in platinum ores and is used in jewelry, dentistry, watchmaking, and electrical contacts. Palladium is also a catalyst for many important chemical reactions, including the oxidation of carbon monoxide to carbon dioxide, the hydrogenation of unsaturated hydrocarbons, and the reduction of nitro compounds. Palladium has a number of interesting properties, including its ability to absorb large quantities of hydrogen gas. It is also resistant to corrosion and tarnish, which makes it a valuable material for use in jewelry and other decorative items. Palladium is also used in the manufacture of certain types of batteries and fuel cells. Palladium is a highly reactive metal that can be used to create a variety of compounds. The most common compound of palladium is palladium chloride, which is used as a catalyst in organic chemistry. Other important palladium compounds include palladium nitrate and palladium acetate. Palladium compounds are often used in the synthesis of new pharmaceuticals and other organic molecules. The study of palladium and its compounds is of great importance for a variety of reasons. For example, palladium catalysts are used in a wide range of industrial processes, including the production of gasoline, plastics, and pharmaceuticals. Palladium is also an important component of certain types of fuel cells. The study of palladium is also important for understanding the fundamental principles of chemistry and materials science.'
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. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
palladium : Chemical element (nickel group element atom) with atomic number 46. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 23938 |
| CHEBI ID | 33363 |
| MeSH ID | M0015772 |
| Synonym |
|---|
| palladium |
| PD , |
| 7440-05-3 |
| 46pd |
| paladio |
| CHEBI:33363 , |
| einecs 231-115-6 |
| palladium, element |
| palladium element |
| palladium black |
| palladex 600 |
| hsdb 6768 |
| palladium on carbon, extent of labeling: 10 wt. % loading (dry basis), matrix carbon powder, wet support |
| palladium on alumina, extent of labeling: 5 wt. % loading, dry |
| palladium on carbon, extent of labeling: 5 wt. % loading, matrix carbon powder, wet support |
| palladium on alumina, extent of labeling: 0.5 wt. % loading, dry, tablet |
| palladium black, surface area 40-60 m2/g, 99.95% trace metals basis |
| palladium on alumina, extent of labeling: 0.5 wt. % loading, spheres |
| palladium on alumina, extent of labeling: 10 wt. % loading, powder, reduced, dry |
| palladium, powder, <75 mum, 99.9% trace metals basis |
| palladium on carbon, extent of labeling: 10 wt. % loading, matrix carbon, dry support |
| palladium on carbon, extent of labeling: 5 wt. % loading (dry basis), matrix carbon, wet support |
| palladium on alumina, extent of labeling: 5 wt. % loading, powder |
| palladium on barium sulfate, reduced, extent of labeling: 5 wt. % loading |
| palladium on barium sulfate, extent of labeling: 5 wt. % loading, unreduced |
| palladium, wire, diam. 0.5 mm, 99.9% trace metals basis |
| palladium, foil, thickness 0.5 mm, 99.9% trace metals basis |
| palladium on alumina, extent of labeling: 1 wt. % loading, powder |
| palladium, granular, 99.99% trace metals basis |
| palladium, foil, thickness 1.0 mm, 99.9% trace metals basis |
| palladium, evaporation slug, diam. x l 0.9 cm x 1.2 cm, 99.95% trace metals basis |
| palladium, sponge, 99.9% trace metals basis |
| palladium, evaporation slug, diam. x l 0.6 cm x 0.6 cm, 99.95% trace metals basis |
| palladium, rod, diam. 6.25 mm, >=99.9% trace metals basis |
| palladium, wire, diam. 0.1 mm, 99.9% trace metals basis |
| palladium, foil, thickness 0.025 mm, 99.9% trace metals basis |
| palladium, rod, diam. 3.1 mm, >=99.9% trace metals basis |
| palladium, foil, thickness 0.25 mm, 99.98% trace metals basis |
| palladium, powder, 99.999% trace metals basis |
| palladium, wire, diam. 1.0 mm, 99.9% trace metals basis |
| palladium black, surface area 40-60 m2/g |
| palladium on alumina, extent of labeling: 0.5 wt. % loading, 3.2 mm, pellets |
| palladium, foil, thickness 0.05 mm, 99.9% trace metals basis |
| palladium on carbon, extent of labeling: 1 wt. % loading, 4-8 mesh |
| palladium, powder, <1 mum, >=99.9% trace metals basis |
| palladium on barium sulfate, 10% pd basis |
| palladium on barium sulfate, 5% pd basis |
| P1701 |
| P1702 |
| P1703 |
| P1785 |
| FT-0651504 |
| P1491 |
| P1490 |
| AKOS005259069 |
| palladium on carbon |
| 10% palladium on carbon wet |
| P123456000 |
| hsdb 7330 |
| 5twq1v240m , |
| palladium, elemental |
| unii-5twq1v240m |
| BP-11458 |
| pd/c |
| FT-0627865 |
| palladium [who-dd] |
| palladium metallicum |
| metallic palladium |
| palladium metallicum [hpus] |
| palladium [hsdb] |
| palladium [inci] |
| palladium [mi] |
| EPITOPE ID:114072 |
| palladium on barium carbonate |
| palladium on calcium carbonate |
| palladium charcoal |
| pd on barium sulfate |
| palladium /carbon |
| palladium (0) |
| paliadium-on-charcoal |
| palladium-on carbon |
| palladium -on- charcoal |
| palladium/ carbon |
| palladium/barium carbonate |
| palladium on cabon |
| palladium on bariumsulfate |
| palladium/calcium carbonate |
| palladium/charcoal |
| pd on charcoal |
| sulfided palladium on carbon |
| KDLHZDBZIXYQEI-UHFFFAOYSA-N |
| palladiumon charcoal |
| palladium on charcoal |
| palladium on-charcoal |
| palladium-on-carbon |
| palladium(0) |
| palladium-on charcoal |
| palladium on charcoal paste |
| palladium- on-carbon |
| palladium/alumina |
| palladium/char coal |
| palladium-charcoal |
| palladiumcharcoal |
| palladiumon alumina |
| palladium on barium sulfate |
| palladium/carbon |
| pd on carbon |
| palladium/barium sulfate |
| palladium on alumina |
| palladium/silica |
| palladium-black |
| palladium on car-bon |
| pd on alumina |
| palladium- on-charcoal |
| palladium-on-silica |
| palladium-on-alumina |
| palladium on strontium carbonate |
| palladiumblack |
| DTXSID4064680 , |
| palladium wire, 0.406mm (0.016in) dia, as drawn |
| palladium wire, 0.203mm (0.008in) dia, hard |
| palladium 5% on carbon (wetted with ca. 55% water) |
| palladium, 0.5% on titanium silicate, 50% water-wet paste (nanoselect lf 200) |
| P2238 |
| palladium, 5% on carbon powder, type 490 |
| palladium wire, 0.4mm (0.0159in) dia, annealed |
| palladium, 5% on carbon, type 87l, nominally 50% water wet |
| palladium, 10% on activated carbon powder, eggshell, unreduced, type 10r394, nominally 50% water wet |
| palladium, 10% on carbon, type 487, nominally 50% water wet |
| palladium foil, 1.0mm (0.04in) thick |
| palladium wire, 1.0mm (0.04in) dia |
| palladium foil, 0.025mm (0.001in) thick |
| palladium wire, 0.127mm (0.005in) dia |
| palladium foil, 1.0mm (0.04in) thick, premion? |
| palladium, 0.5% on 3.18mm (0.125in) alumina pellets, reduced |
| palladium, 5% on barium sulfate powder, reduced |
| palladium wire, 0.05mm (0.002in) dia, hard |
| palladium foil, 0.1mm (0.004in) thick |
| palladium wire, 0.25mm (0.01in) dia, premion? |
| palladium granules |
| palladium, 5% on gamma alumina powder, reduced |
| palladium, 5% on charcoal paste, type 58, nominally 50% water wet |
| palladium wire, 0.5mm (0.02in) dia, premion? |
| mfcd03613603 |
| palladium, 5% on barium sulfate powder, unreduced |
| palladium foil, 0.25mm (0.01in) thick |
| palladium, 5% on charcoal paste, type 39, 50-65% water wet |
| palladium foil, 0.5mm (0.02in) thick |
| palladium slug, 6.35mm (0.25in) dia x 6.35mm (0.25in) length |
| palladium wire, 0.1mm (0.004in) dia, premion(r) |
| palladium wire, 0.5mm (0.02in) dia |
| palladium, 0.5% on 2-4 mm alumina spheres |
| palladium powder, -22 mesh, premion? |
| palladium wire, 0.25mm (0.01in) dia |
| palladium powder, -200 mesh |
| palladium, 5% on 3mm alumina pellets |
| palladium, 1% on alumina powder, reduced |
| palladium, nanopowder, <25 nm particle size (tem), >=99.5% |
| palladium, 5% on granular carbon, reduced |
| mfcd03613602 |
| palladium, 5% on alumina, reduced, dry powder |
| mfcd00011167 |
| palladium powder |
| palladium, 5% on calcium carbonate, unreduced, dry (escat 1371) |
| palladium, 5% on alumina powder, reduced, dry (escat 1241) |
| palladium, 5% on silica powder, reduced, dry (escat 1351) |
| mfcd03427452 |
| mfcd06798745 |
| palladium wire |
| mfcd03613604 |
| mfcd03613605 |
| palladium shot, 3n |
| palladium rod, 3n5+ |
| palladium sponge |
| palladium, 5% on carbon, dry |
| palladium powder, 5n |
| palladium, 10% on barium sulfate |
| mfcd03457879 |
| palladium, 0.5% on alumina, reduced |
| palladium foil |
| palladium, 10% on silica |
| palladium powder, spherical, aps 0.5-1.7 micron |
| palladium sponge, -100+325 mesh |
| palladium, 5% on calcium carbonate, lead poisoned |
| palladium, foil, 50x50mm, thickness 0.125mm, as rolled, 99.95% |
| palladium, wire reel, 0.1m, diameter 0.25mm, as drawn, 99.99+% |
| palladium, foil, 6mm disks, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, 15mm disks, thickness 0.006mm, 99.95% |
| palladium, foil, 10mm disks, thickness 0.006mm, 99.95% |
| palladium, wire reel, 0.2m, diameter 0.5mm, as drawn, 99.95% |
| palladium, wire reel, 0.05m, diameter 1.0mm, as drawn, 99.99+% |
| palladium, foil, 15mm disks, thickness 0.008mm, 99.95% |
| palladium, foil, 10mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.002mm, 99.95% |
| palladium, foil, 1m coil, thickness 0.1mm, coil width 2mm, as rolled, 99.95% |
| palladium, foil, 15mm disks, thickness 0.0125mm, 99.95% |
| palladium, foil, 25mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.003mm, 99.95% |
| palladium, foil, 6mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, 0.5m coil, thickness 0.1mm, coil width 2mm, as rolled, 99.95% |
| palladium, wire reel, 1m, diameter 0.5mm, as drawn, 99.95% |
| palladium, foil, 8mm disks, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.075mm, as rolled, 99.95% |
| palladium, powder, max. particle size 10 micron, weight 2 g, purity 99.95% |
| palladium, microfoil, disks, 25mm, thinness 0.5mum, specific density 303.4mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, wire reel, 5m, diameter 0.125mm, hard, 99.95% |
| palladium, wire reel, 1m, diameter 0.125mm, hard, 99.95% |
| palladium, microfoil, disks, 10mm, thinness 0.25mum, specific density 303.4mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, rod, 50mm, diameter 6.0mm, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, not light tested, 50x50mm, thickness 0.0125mm, 99.95% |
| palladium, microfoil, disks, 25mm, thinness 0.25mum, specific density 303.4mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, foil, 15mm disks, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.004mm, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, not light tested, 100x100mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, rod, 25mm, diameter 6.0mm, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, 8mm disks, thickness 0.25mm, as rolled, 99.99+% |
| palladium, microfoil, disks, 10mm, thinness 0.05mum, specific density 63.6mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, foil, 25x25mm, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, 6mm disks, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, light tested, 100x100mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, wire reel, 0.1m, diameter 0.125mm, hard, 99.95% |
| palladium, wire reel, 5m, diameter 0.25mm, hard, 99.95% |
| palladium, powder, max. particle size 3 micron, weight 5 g, purity 99.95% |
| palladium, foil, 6mm disks, thickness 0.008mm, 99.95% |
| palladium, powder, max. particle size 10 micron, weight 1 g, purity 99.95% |
| palladium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+% |
| palladium, foil, not light tested, 50x50mm, thickness 0.004mm, 99.95% |
| palladium, foil, 0.1m coil, thickness 0.1mm, coil width 2mm, as rolled, 99.95% |
| palladium, wire reel, 5m, diameter 0.025mm, as drawn, 99.9% |
| palladium, foil, thickness 0.60 mm, size 10 x 10 mm, purity 99.95% |
| palladium, foil, 100x100mm, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.075mm, as rolled, 99.95% |
| palladium, wire reel, 0.2m, diameter 1.0mm, hard, 99.95% |
| palladium, foil, 100x100mm, thickness 0.1mm, as rolled, 99.99+% |
| palladium, foil, 100x100mm, thickness 0.1mm, as rolled, 99.95% |
| palladium, wire reel, 5m, diameter 0.05mm, as drawn, 99.9% |
| palladium, foil, 10mm disks, thickness 0.125mm, as rolled, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.25mm, as drawn, 99.99+% |
| palladium, foil, 25mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, wire reel, 50m, diameter 0.125mm, hard, 99.95% |
| palladium, foil, 6mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, wire reel, 2m, diameter 0.25mm, hard, 99.95% |
| palladium, foil, 15mm disks, thickness 0.047mm, as rolled, 99.95% |
| palladium, wire reel, 2m, diameter 0.025mm, as drawn, 99.9% |
| palladium, foil, not light tested, 25x25mm, thickness 0.0015mm, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.02mm, as rolled, 99.95% |
| palladium, microfoil, disks, 50mm, thinness 0.05mum, specific density 63.6mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, foil, 10mm disks, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, 4mm disks, thickness 0.0125mm, 99.95% |
| palladium, wire reel, 0.1m, diameter 0.25mm, hard, 99.95% |
| palladium, powder, max. particle size 10 micron, weight 5 g, purity 99.95% |
| palladium, foil, 8mm disks, thickness 0.25mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, 6mm disks, thickness 0.25mm, as rolled, 99.99+% |
| palladium, powder, 3 max. part. size (micron), weight 2 g, purity 99.95% |
| palladium, wire reel, 1m, diameter 0.25mm, as drawn, 99.99+% |
| palladium, foil, 10mm disks, thickness 0.0125mm, 99.95% |
| palladium, wire reel, 2m, diameter 0.5mm, as drawn, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, wire reel, 0.1m, diameter 1.0mm, hard, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.02mm, as drawn, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.95% |
| palladium, tube, 200mm, outside diameter 5.0mm, inside diameter 4.4mm, wall thickness 0.3mm, as drawn, 99.95% |
| palladium, foil, 15mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.0025mm, 99.95% |
| palladium, wire reel, 1m, diameter 0.25mm, hard, 99.95% |
| palladium, foil, light tested, 50x50mm, thickness 0.075mm, as rolled, 99.95% |
| palladium, microfoil, disks, 50mm, thinness 0.1mum, specific density 119.2mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, tube, 100mm, outside diameter 2.0mm, inside diameter 1.6mm, wall thickness 0.2mm, as drawn, 99.95% |
| palladium, foil, 25mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 15mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, wire reel, 1m, diameter 0.02mm, as drawn, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.008mm, 99.95% |
| palladium, rod, 100mm, diameter 4.0mm, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.002mm, 99.95% |
| palladium, wire reel, 10m, diameter 0.05mm, as drawn, 99.9% |
| palladium, foil, 4mm disks, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, not light tested, 150x150mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 8mm disks, thickness 0.006mm, 99.95% |
| palladium, foil, 8mm disks, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, tube, 100mm, outside diameter 3.5mm, inside diameter 3mm, wall thickness 0.25mm, as drawn, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.006mm, 99.95% |
| palladium, wire reel, 1m, diameter 0.025mm, as drawn, 99.9% |
| palladium, wire reel, 10m, diameter 0.25mm, hard, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, microfoil, disks, 25mm, thinness 0.1mum, specific density 119.2mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, wire reel, 2m, diameter 0.25mm, as drawn, 99.99+% |
| palladium, rod, 25mm, diameter 2.0mm, 99.95% |
| palladium, foil, light tested, 100x100mm, thickness 0.047mm, as rolled, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.125mm, hard, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.0025mm, 99.95% |
| palladium, foil, 8mm disks, thickness 0.0125mm, 99.95% |
| palladium, tube, 100mm, outside diameter 1.0mm, inside diameter 0.8mm, wall thickness 0.1mm, as drawn, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.0005mm, 99.75% |
| palladium, foil, light tested, 50x50mm, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, 4mm disks, thickness 0.008mm, 99.95% |
| palladium, foil, 10x10mm, thickness 0.50mm, as rolled, 99.99+% |
| palladium, foil, thickness 0.60 mm, 10 mm diameter, purity 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.003mm, 99.95% |
| palladium, foil, 8mm disks, thickness 0.008mm, 99.95% |
| palladium, tube, 50mm, outside diameter 3.5mm, inside diameter 3mm, wall thickness 0.25mm, as drawn, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.004mm, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.0005mm, 99.75% |
| palladium, foil, not light tested, 50x50mm, thickness 0.006mm, 99.95% |
| palladium, wire reel, 2m, diameter 0.02mm, as drawn, 99.95% |
| palladium, foil, 8mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, tube, outside diameter 6.6 mm, length 50 mm, wall thickness 0.125 mm |
| palladium, foil, not light tested, 25x25mm, thickness 0.0125mm, 99.95% |
| palladium, wire reel, 0.5m, diameter 1.0mm, as drawn, 99.99+% |
| palladium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+% |
| palladium, foil, 8mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, 25x25mm, thickness 0.50mm, as rolled, 99.99+% |
| palladium, foil, 4mm disks, thickness 0.075mm, as rolled, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.006mm, 99.95% |
| palladium, wire reel, 10m, diameter 0.025mm, as drawn, 99.9% |
| palladium, tube, 100mm, outside diameter 5.0mm, inside diameter 4.4mm, wall thickness 0.3mm, as drawn, 99.95% |
| palladium, microfoil, disks, 10mm, thinness 0.5mum, specific density 303.4mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, foil, not light tested, 150x150mm, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, 4mm disks, thickness 0.006mm, 99.95% |
| palladium, tube, 120mm, outside diameter 6mm, inside diameter 5mm, wall thickness 0.5mm, as drawn, 99.95% |
| palladium, foil, 50x50mm, thickness 0.25mm, as rolled, 99.99+% |
| palladium, foil, 2m coil, thickness 0.1mm, coil width 2mm, as rolled, 99.95% |
| palladium, foil, 8mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, 4mm disks, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, not light tested, 25x25mm, thickness 0.005mm, 99.95% |
| palladium, foil, 6mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 6mm disks, thickness 0.075mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 15mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, 8mm disks, thickness 0.075mm, as rolled, 99.95% |
| palladium, microfoil, disks, 25mm, thinness 0.05mum, specific density 63.6mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, tube, outside diameter 6.6 mm, length 200 mm, wall thickness 0.125 mm |
| palladium, foil, 50x50mm, thickness 0.25mm, as rolled, 99.95% |
| palladium, foil, 25mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, foil, 6mm disks, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, not light tested, 150x150mm, thickness 0.008mm, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.005mm, 99.95% |
| palladium, wire reel, 20m, diameter 0.025mm, as drawn, 99.9% |
| palladium, foil, 4mm disks, thickness 0.02mm, as rolled, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 6mm disks, thickness 0.0125mm, 99.95% |
| palladium, foil, 4mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 25x25mm, thickness 0.1mm, as rolled, 99.95% |
| palladium, tube, outside diameter 6.6 mm, length 100 mm, wall thickness 0.125 mm |
| palladium, powder, 3 max. part. size (micron), weight 1 g, purity 99.95% |
| palladium, wire reel, 5m, diameter 0.02mm, as drawn, 99.95% |
| palladium, microfoil, disks, 10mm, thinness 0.1mum, specific density 119.2mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, foil, not light tested, 25x25mm, thickness 0.004mm, 99.95% |
| palladium, rod, 25mm, diameter 4.0mm, 99.95% |
| palladium, foil, thickness 0.1 mm, length 0.05 m, coil width 2 mm |
| palladium, foil, 25x25mm, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, thickness 0.60 mm, 8 mm diameter, purity 99.95% |
| palladium, wire reel, 0.1m, diameter 1.0mm, as drawn, 99.99+% |
| palladium, foil, light tested, 100x100mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, wire reel, 25m, diameter 0.125mm, hard, 99.95% |
| palladium, foil, thickness 0.60 mm, 4 mm diameter, purity 99.95% |
| palladium, foil, 10x10mm, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.95% |
| palladium, rod, 50mm, diameter 2.0mm, 99.95% |
| palladium, foil, 6mm disks, thickness 0.006mm, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, not light tested, 50x50mm, thickness 0.008mm, 99.95% |
| palladium, foil, thickness 0.60 mm, diameter 6 mm, purity 99.95% |
| palladium, foil, 4mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 8mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 10mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, powder, max. particle size 150 micron, weight 2 g, purity 99.95% |
| palladium, tube, 200mm, outside diameter 1.0mm, inside diameter 0.8mm, wall thickness 0.1mm, as drawn, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.25mm, hard, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.006mm, 99.95% |
| palladium, wire reel, 50m, diameter 0.05mm, as drawn, 99.9% |
| palladium, foil, not light tested, 50x50mm, thickness 0.025mm, as rolled, 99.95% |
| palladium, foil, 8mm disks, thickness 0.125mm, as rolled, 99.95% |
| palladium, foil, light tested, 25x25mm, thickness 0.047mm, as rolled, 99.95% |
| palladium, foil, 0.2m coil, thickness 0.1mm, coil width 2mm, as rolled, 99.95% |
| palladium, wire reel, 0.05m, diameter 1.0mm, hard, 99.95% |
| palladium, rod, 10mm, diameter 6.0mm, 99.95% |
| palladium, rod, 100mm, diameter 2.0mm, 99.95% |
| palladium, foil, thickness 0.60 mm, size 25 x 25 mm, purity 99.95% |
| palladium, powder, max. particle size 150 micron, weight 1 g, purity 99.95% |
| palladium, wire reel, 0.1m, diameter 0.5mm, as drawn, 99.95% |
| palladium, rod, 50mm, diameter 4.0mm, 99.95% |
| palladium, wire reel, 1m, diameter 0.05mm, as drawn, 99.9% |
| palladium, foil, not light tested, 50x50mm, thickness 0.005mm, 99.95% |
| palladium, tube, 200mm, outside diameter 2.0mm, inside diameter 1.6mm, wall thickness 0.2mm, as drawn, 99.95% |
| palladium, powder, max. particle size 150 micron, weight 5 g, purity 99.95% |
| palladium, foil, 6mm disks, thickness 0.025mm, as rolled, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.05mm, as drawn, 99.9% |
| palladium, foil, light tested, 100x100mm, thickness 0.075mm, as rolled, 99.95% |
| palladium, foil, light tested, 50x50mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.99+% |
| palladium, wire reel, 0.2m, diameter 1.0mm, as drawn, 99.99+% |
| palladium, foil, 50x50mm, thickness 0.1mm, as rolled, 99.95% |
| palladium, wire, 0.04 mm diameter, length 1 m, purity 99.95% |
| palladium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+% |
| palladium, foil, 4mm disks, thickness 0.025mm, as rolled, 99.99+% |
| palladium, tube, 50mm, outside diameter 5.0mm, inside diameter 4.4mm, wall thickness 0.3mm, as drawn, 99.95% |
| palladium, foil, 4mm disks, thickness 0.50mm, as rolled, 99.95% |
| palladium, foil, not light tested, 100x100mm, thickness 0.0125mm, 99.95% |
| palladium, tube, 50mm, outside diameter 1.0mm, inside diameter 0.8mm, wall thickness 0.1mm, as drawn, 99.95% |
| palladium, foil, 25x25mm, thickness 0.1mm, as rolled, 99.99+% |
| palladium, foil, light tested, 25x25mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 6mm disks, thickness 0.25mm, as rolled, 99.95% |
| palladium, microfoil, disks, 50mm, thinness 0.25mum, specific density 303.4mug/cm2, permanent mylar 3.5mum support, 99.99% |
| palladium, tube, 200mm, outside diameter 3.5mm, inside diameter 3mm, wall thickness 0.25mm, as drawn, 99.95% |
| palladium, foil, not light tested, 150x150mm, thickness 0.0125mm, 99.95% |
| palladium, foil, not light tested, 150x150mm, thickness 0.03mm, as rolled, 99.95% |
| palladium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.95% |
| palladium, foil, 15mm disks, thickness 0.03mm, as rolled, 99.95% |
| palladium, wire reel, 0.5m, diameter 0.5mm, as drawn, 99.95% |
| palladium, foil, 10mm disks, thickness 0.008mm, 99.95% |
| palladium, foil, 50x50mm, thickness 0.1mm, as rolled, 99.99+% |
| palladium, wire reel, 0.5m, diameter 1.0mm, hard, 99.95% |
| palladium, wire reel, 0.2m, diameter 0.25mm, as drawn, 99.99+% |
| palladium, foil, 25mm disks, thickness 0.008mm, 99.95% |
| palladium, tube, 50mm, outside diameter 2.0mm, inside diameter 1.6mm, wall thickness 0.2mm, as drawn, 99.95% |
| palladium, foil, 15mm disks, thickness 0.075mm, as rolled, 99.95% |
| palladium on barium sulfate, extent of labeling: 5 wt% loading unreduced |
| palladium black surface area 40-60 m2/g |
| palladium on alumina extent of labeling: 10 wt. % loading, powder, reduced, dry |
| palladium on alumina extent of labeling: 5 wt. % loading (dry basis), powder, wet support <=50% water |
| precipitated palladium |
| palladium black surface area 40-60 m2/g, 99.95% trace metals basis |
| palladium black, vetec(tm) reagent grade |
| palladium 10% on carbon (wetted with ca. 55% water) |
| palladium on carbon 10%, wet, contains 67% water |
| hydridopalladium |
| BCP01442 |
| palladium single crystal, 9-10mm (0.35-0.39in) dia, 50mm (2.0in) long, (111) orientation, +/-2 degrees |
| palladium single crystal, 9-10mm (0.35-0.39in) dia, 50mm (2.0in) long, (100) orientation, +/-2 degrees |
| palladium single crystal, 9-10mm (0.35-0.39in) dia, 50mm (2.0in) long, (110) orientation, +/-2 degrees |
| palladium single crystal, 9-10mm (0.35-0.39in) dia, 50mm (2.0in) long, random orientation |
| palladium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (111) orientation, +/-0.5 degrees |
| Q1089 |
| AMY1852 |
| CS-0017899 |
| palladium, 20% on carbon (dry basis), 45-65% wetted powder |
| palladium 5% on barium sulfate |
| palladium, 10% on carbon, type 487, dry |
| palladium nanorods |
| palladium nano dispersion |
| palladium nanoprisms |
| gallium(iii) chloride anhydrous (gacl3) |
| palladium metal foil |
| ultra thin palladium nanofoil |
| 10% palladium on carbon (50% water) |
| palladium on alumina extent of labeling: 5 wt. % loading, dry, bead/balls |
| palladium standard: pd @ 1000 microg/ml in 20% hcl |
| palladium standard: pd @ 1000 microg/ml in 5% hno3 |
| palladium standard: pd @ 10000 microg/ml in 20% hcl |
| palladium-pd @ 1000 microg/ml in 20% hcl |
| palladium-pd @ 1000 microg/ml in 5% hno3 |
| palladium standard: pd @ 10000 microg/ml in 10% hno3 |
| palladium aa standard: pd @ 1000 microg/ml in 20% hcl |
| palladium nitrate gfaa matrix modifier: 1% pd in 10% hno3 |
| palladium 10% on carbon, dry basis |
| palladium hollow cathode lamp: 2.0 diameter, 4-pin, cableless |
| palladium hollow cathode lamp: 2.0 diameter, 9-pin, non-coded |
| sulfur-free barium concentrate: ba @ approx. 7 wt% in hydrocarbons |
| palladium hollow cathode lamp: 1.5 diameter, 2-pin, non-coded |
| palladium 5% on carbon dry powder |
| palladium nanoparticles dispersion (pd, purity: 99.99%) |
| lindlar catalyst 5% on calcium carbonate (poisoned with lead) |
| palladium 5% on calcium carbonate (poisoned with lead) |
| palladium 5% on barium carbonate |
| palladium 10% on carbon powder |
| palladium, powder 200 mesh |
| palladium black, 99.99% trace metals grade |
| dtxcid2047644 |
| palladium - pd @ 1000 microg/ml in 20% hcl |
| palladium - pd @ 1000 microg/ml in 5% hno3 |
Palladium is an important biomaterial for the reconstruction of occlusions during dental restorations. Palladium (Pd) is a promising metal catalyst for novel bioorthogonal chemistry and prodrug activation. Pallanium(II) complexes are an important class of cyclopalladated compounds.
Palladium migration has emerged as a reliable method for directed C-H functionalization. Palladium nanoparticles have been reported to have various nanozyme activities and exhibit promising potentials for biomedical applications.
Palladium (Pd) can also cause allergic disease and exposure results from wide use of this metal in dental restorations and jewelry. Palladium(II) complexes catalyze the Sonogashira coupling of various aryl halides (including chloroarenes) with terminal alkynes.
Forskolin underwent an intramolecular cross-coupling reaction to generate a novel cycloalkene ether 2 in 85% yield. Treatment of palladium(II) hexafluoroacetylacetonate, [Pd(F(6)acac)(2)], yields the complex.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Treatment with palladium acetate, forskolin underwent an intramolecular cross-coupling reaction to generate a novel cycloalkene ether 2 in 85% yield." | ( Synthesis of intramolecular cross-coupling analogues of forskolin. Cheng, S; Dong, C; Ling, Y; Zhao, R; Zhao, Y, 2023) | 1.25 |
| "Treatment of palladium(II) hexafluoroacetylacetonate, [Pd(F(6)acac)(2)], with a slight excess of (R(f))(2)P(O)H yields the complex [Pd(F(6)acac)({2,4-(CF(3))(2)C(6)H(3)}(2)PO)(2)H]." | ( Air-stable platinum and palladium complexes featuring bis[2,4-bis(trifluoromethyl)phenyl]phosphinous acid ligands. Hoge, B; Kurscheid, B; Neumann, B; Stammler, HG, 2011) | 1.03 |
The analogous palladium salts tested were 3 times less toxic with ED50 being 0. In contrast, the palladium complex was found to be more toxic for the LY-R cells than for the S cells. From all the experiments, it was concluded that all the three PdO nanosuspension are toxic in nature.
| Excerpt | Reference | Relevance |
|---|---|---|
| " Because of analytical problems in detecting Pd in small biological samples the present investigation concentrates on the bioavailability of this metal." | ( First report on the uptake of automobile catalyst emitted palladium by European eels (Anguilla anguilla) following experimental exposure to road dust. Alt, F; Messerschmidt, J; Sures, B; von Bohlen, A; Zimmermann, S, 2001) | 0.55 |
| " This review summarises current knowledge concerning the environmental mobility, speciation and bioavailability of Pt, Pd and Rh." | ( Environmental routes for platinum group elements to biological materials--a review. Ek, KH; Morrison, GM; Rauch, S, 2004) | 0.32 |
| " Organic ligands found in soils have the potential to increase the mobility of PGEs and potentially increase the bioavailability of the metals." | ( Potential mobilization of platinum-group elements by siderophores in surface environments. Dahlheimer, SR; Fein, JB; Neal, CR, 2007) | 0.34 |
| " Pt showed the highest absolute bioavailability however, due to its greater concentration in environmental samples." | ( The estimation of the bioavailabilities of platinum, palladium and rhodium in vehicle exhaust catalysts and road dusts using a physiologically based extraction test. Colombo, C; Monhemius, AJ; Plant, JA, 2008) | 0.6 |
| "Palladium model particles similar to those emitted from catalytic car exhaust converters were prepared and characterized with the intention of providing a standardized material for investigations of the chemical behavior and bioavailability of traffic related Pd emissions." | ( Preparation and characterization of Pd/Al2O3 and Pd nanoparticles as standardized test material for chemical and biochemical studies of traffic related emissions. Leopold, K; Maier, M; Schuster, M, 2008) | 1.79 |
| " More recent studies on PGE toxicity, environmental bioavailability and concentrations in biologically relevant media indicate however that environmental exposures to these metals may indeed pose a health risk, especially at a chronic, subclinical level." | ( Airborne particulate matter, platinum group elements and human health: a review of recent evidence. Wiseman, CL; Zereini, F, 2009) | 0.35 |
| " The temperature change was measured in a cylindrical keeper (GIGAUSS D600; GC, Tokyo, Japan) with coping of the casting alloy and a keeper with a dental implant at the maximum specific absorption rate (SAR) for 20 min." | ( Radiofrequency heating and magnetically induced displacement of dental magnetic attachments during 3.0 T MRI. Abe, Y; Hasegawa, M; Ishigami, T; Miyata, K; Namiki, T; Tabuchi, T, 2012) | 0.38 |
| " However, the recent studies on PGEs toxicity and environmental bioavailability indicated that once entering environment, anthropogenic PGEs might easily be mobilized and transformed into more toxic forms under the actions of various biogeochemical processes, and thereby, enhanced their bioavailability and posed potential health risks to human beings through food chain." | ( [Migration and transformation of anthropogenic platinum group elements in environment: a review]. Gao, XL; Li, PM, 2012) | 0.38 |
| " The analysis shows that Ca bioavailability is also a key factor within transfer." | ( Soil-to-plant transfer factors of radioactive Ca, Sm and Pd isotopes: critical assessment of the use of analogies to derive best-estimates from existing non-specific data. Henner, P; Hurtevent, P; Thiry, Y, 2014) | 0.4 |
| " Despite the bioavailability of these metals to plants and animals, studies determining the effects of PGE on organisms are extremely rare." | ( Impact of platinum group elements on the soil invertebrate Enchytraeus crypticus. Bednarova, I; Beklova, M; Havelkova, B; Kovacova, V; Pikula, J, 2014) | 0.4 |
| " The considerable mobility of the metal, due to solubilisation phenomena, and its known bioavailability may indicate interactions with higher organisms." | ( Palladium uptake by Pisum sativum: partitioning and effects on growth and reproduction. Berta, G; Cantamessa, S; Cherchi, L; Fumagalli, A; Gerola, P; Lanfranchi, M; Ronchini, M; Vianelli, A, 2015) | 1.86 |
| "5°C) when compared with other dental implants and abutments, particularly on sequences with high specific absorption rate values." | ( Impact of the Static and Radiofrequency Magnetic Fields Produced by a 7T MR Imager on Metallic Dental Materials. Kihara, H; Kobayashi, T; Kondo, H; Oriso, K; Sasaki, M; Uwano, I, 2016) | 0.43 |
| " The specific absorption rate (SAR) is found to vary with increasing particle size due to a change in dominant heating mechanism from susceptibility to hysteresis and frictional loss." | ( Structural perspective on revealing heat dissipation behavior of CoFe Dunin-Borkowski, RE; Ghazanfari, MR; Pettinger, S; Schmitz-Antoniak, C; Shams, SF; Siemensmeyer, K; Smekhova, A; Tavabi, AH; Westmeyer, GG, 2020) | 0.56 |
| " Because of its suboptimal route of administration and dose-limiting toxicities, diverse 5-FU prodrugs have been developed to confer oral bioavailability and increase the safety profile of 5-FU chemotherapy regimens." | ( A 5-FU Precursor Designed to Evade Anabolic and Catabolic Drug Pathways and Activated by Pd Chemistry Adam, C; Baillache, DJ; Bray, TL; Houston, DR; Leung, HY; Pérez-López, AM; Rubio-Ruiz, B; Salji, MJ; Tan, EH; Unciti-Broceta, A, 2022) | 0.72 |
| " The results also showed these nanoparticles displayed antihypertensive effects through some mechanisms such as sustained release forms via increasing bioavailability, increasing oral bioavailability and improving oral and non-oral absorption, counteracting excessive superoxide, decreasing blood pressure, etc." | ( Role of Organic and Inorganic Nanoparticles in the Drug Delivery System for Hypertension Treatment: A Systematic Review. Karami, K; Kiani, AA; Moradifar, N; Veiskaramian, A, 2022) | 0.72 |
| " Also, OSIRIS DataWarrior revealed proper oral bioavailability and good drug-likeness for the compound." | ( Biological activity of bis-(morpholineacetato)palladium(II) complex: Preparation, structural elucidation, cytotoxicity, DNA-/serum albumin-interaction, density functional theory, in-silico prediction and molecular modeling. Dehghanian, E; Feizi-Dehnayebi, M; Mansouri-Torshizi, H, 2022) | 0.98 |
| " In situ application of Suzuki-Miyaura cross coupling of non-cytotoxic precursors to cancer drug, along with their successful encapsulation in an injectable hydrogel could be applied for tumor point drug delivery strategies that can circumvent deleterious side effects and poor bioavailability chemotherapy routes with concomitant enhanced efficacy." | ( Hydrogel-Encapsulated Heterogenous Mesoporous Resin Catalyst for In Situ Anti-Cancer Agent Production under Biological Conditions. Hesketh, R; Jonnalagadda, S; Kanjilal, B; Martins-Green, M; Nabavinia, M; Noshadi, I; Pandey, M, 2022) | 0.72 |
Palladium recovery was assessed as a function of solution pH, adsorbent dosage and initial concentration of palladium. Relative dosage values according to a simultaneously measured reference value were measured at the surface of the different dental materials.
| Product Category | Products |
|---|---|
| Herbs, Botanicals & Homeopathy | 1 |
| Vitamins & Supplements | 1 |
| Product | Brand | Category | Compounds Matched from Ingredients | Date Retrieved |
|---|---|---|---|---|
| Natural Care Restless Legs -- 60 Tablets | Natural Care | Herbs, Botanicals & Homeopathy | Chamomile, Cellulose, weakness, lactose, Palladium | 2024-11-29 10:47:42 |
| Olympian Labs Sea Nourishment Cran-Raspberry -- 32 fl oz | Olympian Labs | Vitamins & Supplements | Lipase, citric acid, Alanine, Arginine, Vitamin C, Aspartic Acid, Barium, Beta Carotene, Bismuth, Boron, Bromine, Cadmium, Cellulase, Cesium, Chloride, Chromium, citric acid, Citrulline, Cobalt, Cysteine, Cystine, Vitamin E, fructose, Germanium, Vitamin E, Glutamine, Glycine, Gold, Histidine, Hydrogen, Indium, Iodine, Iridium, Lanthanum, Lithium, Manganese, Molybdenum, Vitamin B, Nickel, Niobium, Ornithine, Osmium, Palladium, Phosphorus, Platinum, Proline, Rhodium, Rubidium, Selenium, Serine, Silver, Strontium, Sulfur, Taurine, Tellurium, Thallium, Tin, Titanium, Tungsten, CoQ7, CoQ8, CoQ9, Uranium, Vanadium | 2024-11-29 10:47:42 |
| Class | Description |
|---|---|
| nickel group element atom | |
| platinum group metal atom | |
| metal allergen | Any metal which causes the onset of an allergic reaction. |
| [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] | |
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 703 (5.76) | 18.7374 |
| 1990's | 499 (4.09) | 18.2507 |
| 2000's | 3623 (29.70) | 29.6817 |
| 2010's | 6031 (49.44) | 24.3611 |
| 2020's | 1342 (11.00) | 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 (61.95) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 97 (0.77%) | 5.53% |
| Reviews | 368 (2.94%) | 6.00% |
| Case Studies | 77 (0.61%) | 4.05% |
| Observational | 1 (0.01%) | 0.25% |
| Other | 11,985 (95.67%) | 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 |
|---|---|---|---|---|---|
| 1,2,4-trichlorobenzene 1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4. | 7.49 | 2 | 0 | trichlorobenzene | |
| chloroacetaldehyde [no description available] | 2.02 | 1 | 0 | organochlorine compound | |
| acetoacetic acid acetoacetic acid : A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. | 2.04 | 1 | 0 | 3-oxo fatty acid; ketone body | metabolite |
| 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. | 3 | 4 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 4.24 | 5 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
| ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water. | 3.68 | 9 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
| acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 9.2 | 16 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 4.48 | 7 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
| acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 10.16 | 14 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
| adenine [no description available] | 5.23 | 15 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| adipic acid adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. | 2.31 | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
| agmatine Agmatine: Decarboxylated arginine, isolated from several plant and animal sources, e.g., pollen, ergot, herring sperm, octopus muscle. | 2.05 | 1 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
| ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 6.19 | 41 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
| anthranilic acid anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. | 3.57 | 2 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
| arsenic acid arsenic acid: RN given refers to orthoarsenic acid(H3AsO4); see also sodium arsenate. arsenic acid : An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom. | 2.48 | 2 | 0 | arsenic oxoacid | Escherichia coli metabolite |
| beta-alanine [no description available] | 7.03 | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
| benzaldehyde [no description available] | 5.02 | 12 | 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] | 7.35 | 78 | 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. | 3.36 | 6 | 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 |
| benzyl alcohol Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. | 8.97 | 12 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
| betaine glycine betaine : The amino acid betaine derived from glycine. | 2.04 | 1 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
| bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) | 6.39 | 150 | 0 | halide anion; monoatomic bromine | |
| hydrobromic acid Hydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.. hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.. hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms. | 2.42 | 2 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
| 1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 5.28 | 16 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
| cadaverine [no description available] | 2.11 | 1 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
| carbamates [no description available] | 6.05 | 35 | 0 | amino-acid anion | |
| carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 9.18 | 192 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
| formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 5.66 | 71 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
| aminooxyacetic acid Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.. (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. | 2.15 | 1 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
| catechol [no description available] | 3.32 | 6 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
| methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). | 11.82 | 316 | 1 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| chloroacetic acid chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. | 2.04 | 1 | 0 | chlorocarboxylic acid; haloacetic acid | alkylating agent; herbicide |
| choline [no description available] | 2.52 | 2 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
| citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. | 3.45 | 7 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
| chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 13.34 | 155 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
| hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. | 4.34 | 19 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
| coumarin 2H-chromen-2-one: coumarin derivative | 4.89 | 10 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
| salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.98 | 4 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
| octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms. | 3.92 | 12 | 0 | alkane | xenobiotic |
| phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5. | 3.04 | 4 | 0 | benzenetriol; phenolic donor | algal metabolite |
| gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.88 | 3 | 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 |
| 2-butynedioic acid 2-butynedioic acid: RN given refers to parent cpd. butynedioic acid : An acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups. | 2.05 | 1 | 0 | acetylenic compound; C4-dicarboxylic acid | |
| 4-nitrophenylphosphate nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. | 2.01 | 1 | 0 | aryl phosphate | mouse metabolite |
| octanoic acid octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. | 2.76 | 3 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
| hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. | 4.67 | 8 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
| 4-aminophenol 4-aminophenol: RN given refers to parent cpd. 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. | 8.34 | 6 | 0 | aminophenol | allergen; metabolite |
| trimethylenediamine trimethylenediamine: RN given refers to parent cpd; structure. trimethylenediamine : An alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. | 2.07 | 1 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
| caprylic aldehyde caprylic aldehyde: structure in Merck Index, 9th ed, #1765. octanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). | 2.05 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant 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. | 2.46 | 2 | 0 | C4-dicarboxylic acid | human metabolite |
| phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. | 2.76 | 3 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 3 | 4 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
| fosmidomycin fosmidomycin: from Streptomyces lavendulae; RN given refers to parent cpd; structure in second source. fosmidomycin : Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis. | 2.06 | 1 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
| cytosine [no description available] | 4.18 | 16 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 3.92 | 12 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
| dihydroxyacetone [no description available] | 2.05 | 1 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| dimethylglycine dimethylglycine: metabolic product of calcium pangamate; mutagen when mixed with nitrite; RN given refers to parent cpd. N,N-dimethylglycine : An N-methylglycine that is glycine carrying two N-methyl substituents. | 2.25 | 1 | 0 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
| dimethylamine [no description available] | 2.04 | 1 | 0 | methylamines; secondary aliphatic amine | metabolite |
| dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 4.67 | 27 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
| ethanolamine [no description available] | 2.11 | 1 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
| formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 4.06 | 14 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| glycine [no description available] | 5.11 | 42 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
| glyceraldehyde Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. | 2.03 | 1 | 0 | aldotriose | fundamental metabolite |
| glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | 4.23 | 17 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
| glycolaldehyde [no description available] | 2.03 | 1 | 0 | glycolaldehydes | fundamental metabolite; human metabolite |
| glyoxylic acid glyoxylic acid: RN given refers to parent cpd. glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. | 2.76 | 3 | 0 | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| carbonic acid Carbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed) | 2.96 | 4 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
| hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom | 2.61 | 2 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
| hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid. | 2.69 | 3 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| histamine [no description available] | 2.71 | 3 | 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. | 11.43 | 523 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| hydroquinone [no description available] | 8.36 | 6 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
| hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | 7.74 | 3 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
| imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 5.99 | 19 | 0 | imidazole | |
| indole [no description available] | 5.06 | 38 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
| iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 6.53 | 59 | 0 | diatomic iodine | nutrient |
| itaconic acid itaconic acid : A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. | 2.46 | 2 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
| dihydroxyphenylalanine Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 1.95 | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
| kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. | 4.57 | 1 | 1 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
| pipecolic acid pipecolic acid: RN given refers to cpd without isomeric designation. pipecolic acid : A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.. pipecolate : A piperidinecarboxylate that is the conjugate base of pipecolic acid. | 7.07 | 1 | 0 | piperidinemonocarboxylic acid | |
| thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | 3.96 | 12 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
| malonic acid malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups. | 2.74 | 3 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
| methylmercaptan methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure | 2.46 | 2 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
| methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 5.62 | 69 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 3.8 | 3 | 0 | cyclitol; hexol | |
| melatonin [no description available] | 2.15 | 1 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
| croton oil [no description available] | 2.15 | 1 | 0 | N-acyl-hexosamine | |
| acetanilide acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. | 2.75 | 3 | 0 | acetamides; anilide | analgesic |
| naphthalene [no description available] | 4.27 | 17 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
| nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28. | 13.07 | 378 | 2 | metal allergen; nickel group element atom | epitope; micronutrient |
| niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | 3 | 4 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
| niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | 2.47 | 2 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
| nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 6.5 | 42 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
| nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. | 3.63 | 9 | 0 | nitrogen oxoacid | protic solvent; reagent |
| nitroxyl nitroxyl: hydroxamic acid oxidized to nitroxyl free radical. nitroxyl : A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group. | 2.73 | 3 | 0 | nitrogen oxoacid | |
| 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) | 4.38 | 19 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
| nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. | 3.32 | 6 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
| 1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 2.04 | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
| hydroxide ion [no description available] | 3.17 | 5 | 0 | oxygen hydride | mouse metabolite |
| orotic acid Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. | 3.06 | 5 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse 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. | 2.99 | 4 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
| oxamic acid Oxamic Acid: Amino-substituted glyoxylic acid derivative.. oxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. | 3.02 | 4 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
| 4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. | 3.01 | 4 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
| 4-nitrophenol 4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 5.09 | 38 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
| triphosphoric acid triphosphoric acid: used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative; RN given refers to parent cpd; structure | 2.77 | 3 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
| palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.11 | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
| pentachlorophenol PENTA: structure given in first source | 3.93 | 12 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
| phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 7.73 | 3 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
| phenol [no description available] | 5.81 | 27 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
| phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | 3.45 | 7 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
| phosphoric acid phosphoric acid: concise etchant is 37% H3PO4. phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. | 8.51 | 7 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
| phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. | 7.44 | 2 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
| picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. | 2.08 | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
| porphobilinogen [no description available] | 2.63 | 2 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
| diphosphoric acid diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. | 1.94 | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
| propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. | 8.92 | 3 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
| 1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. | 1.97 | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
| purine 1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine. | 2.95 | 4 | 0 | purine | |
| putrescine [no description available] | 6.98 | 1 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
| pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole. | 4.21 | 16 | 0 | pyrazole | |
| pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 7.08 | 59 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
| pyridoxal [no description available] | 1.97 | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms). | 2.38 | 2 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 7.37 | 2 | 0 | benzenetriol; phenolic donor | plant metabolite |
| pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. | 2.38 | 2 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
| quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. | 2.54 | 2 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
| thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid. | 2.89 | 4 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
| dithionite Dithionite: Dithionite. The dithionous acid ion and its salts. | 2.48 | 2 | 0 | sulfur oxide; sulfur oxoanion | |
| sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis | 3.15 | 5 | 0 | N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
| selenic acid Selenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide. | 2.05 | 1 | 0 | selenium oxoacid | |
| selenious acid Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION. | 1.97 | 1 | 0 | selenium oxoacid | |
| sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). | 2.66 | 3 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
| spermidine [no description available] | 7.94 | 4 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
| spermine [no description available] | 8.45 | 7 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
| succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. | 2.76 | 3 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
| sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 3.67 | 9 | 0 | sulfur oxoacid | catalyst |
| sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant. | 3.56 | 8 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
| thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. | 7.36 | 2 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| thymine [no description available] | 9.79 | 10 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 5.15 | 43 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| tryptamine [no description available] | 7.46 | 2 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
| uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 4.18 | 16 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. | 4.15 | 15 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
| urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 6.8 | 45 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.77 | 3 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | 3.02 | 4 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
| huperzine a huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source. huperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. | 7.79 | 3 | 0 | quinolone | |
| menthol Menthol: A monoterpene cyclohexanol produced from mint oils. | 2.07 | 1 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
| mandelic acid SAMMA: mandelic acid condensation polymer | 2.48 | 2 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
| 1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 4.49 | 22 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 5.86 | 17 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
| 1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 3.34 | 6 | 0 | imidazoles | |
| 2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. | 11.04 | 35 | 0 | bipyridine | chelator; ferroptosis inhibitor |
| 2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. | 2.74 | 3 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
| 2,4-dinitrophenol 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions. | 2.02 | 1 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
| mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation. | 2.66 | 2 | 0 | alkanethiol; primary alcohol | geroprotector |
| beta-phosphonopropionic acid beta-phosphonopropionic acid: structure | 2.06 | 1 | 0 | ||
| cgp 52411 4,5-dianilinophthalimide: structure given in first source. 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups. | 2.02 | 1 | 0 | phthalimides | geroprotector; tyrosine kinase inhibitor |
| 4-aminopyridine [no description available] | 2.03 | 1 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
| phenanthridone phenanthridone: coal tar derivative; structure given in first source. phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. | 2.78 | 3 | 0 | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen |
| oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 7.99 | 4 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
| tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. | 2.31 | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 6.22 | 9 | 1 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| salophen salophen: structure given in first source | 2.21 | 1 | 0 | carbonyl compound | |
| albendazole [no description available] | 7.41 | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
| albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). | 2.08 | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
| am 251 AM 251: an analog of SR141716A; structure given in first source. AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor. | 2.11 | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
| ametantrone ametantrone: RN given refers to parent cpd; structure | 1.97 | 1 | 0 | ||
| diatrizoic acid Diatrizoate: A commonly used x-ray contrast medium. As DIATRIZOATE MEGLUMINE and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography.. amidotrizoic acid : A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. | 3.45 | 7 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
| ampyrone Ampyrone: A metabolite of AMINOPYRINE with analgesic and anti-inflammatory properties. It is used as a reagent for biochemical reactions producing peroxides or phenols. Ampyrone stimulates LIVER MICROSOMES and is also used to measure extracellular water. | 2.48 | 2 | 0 | primary amino compound; pyrazolone | antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| theophylline [no description available] | 6.97 | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
| 2-aminothiazole 2-aminothiazole: RN given refers to parent cpd; structure. 1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2. | 2.89 | 3 | 0 | 1,3-thiazoles; primary amino compound | |
| amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. | 2.06 | 1 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
| anastrozole [no description available] | 2.06 | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
| antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. | 2.13 | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| 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. | 1.95 | 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 |
| astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. | 2.07 | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
| atrazine [no description available] | 2.79 | 3 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS. | 1.98 | 1 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
| azobenzene azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds. | 3.81 | 10 | 0 | azobenzenes | |
| baclofen [no description available] | 7.07 | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
| benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 8.18 | 5 | 0 | benzamides | |
| benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 2.72 | 3 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group. | 2.25 | 1 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
| bicalutamide bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. | 2.05 | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
| bohemine bohemine : Purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine. | 7.01 | 1 | 0 | purines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| cacodylic acid dimethylarsinic acid : The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups. | 2.06 | 1 | 0 | organoarsenic compound | xenobiotic metabolite |
| caffeine [no description available] | 3.04 | 4 | 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 |
| verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. | 3.58 | 2 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
| cannabinol Cannabinol: A physiologically inactive constituent of Cannabis sativa L. | 2.52 | 2 | 0 | dibenzopyran | |
| carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. | 2.45 | 2 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
| carvedilol [no description available] | 2.13 | 1 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
| cefuroxime Cefuroxime: Broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, GONORRHEA, and HAEMOPHILUS.. cefuroxime : A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. | 2.07 | 1 | 0 | carbamate ester; cephalosporin | |
| cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups. | 5.39 | 17 | 0 | quaternary ammonium ion | |
| cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges. | 2.03 | 1 | 0 | pyridinium ion | |
| chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. | 2.49 | 2 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
| chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma. | 2.07 | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
| chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. | 7.36 | 2 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
| cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. | 2.01 | 1 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
| ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. | 7.98 | 4 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
| platinum tetrachloride platinum chloride: RN given refers to cpd with unspecified MF; structure in first source: K2PtCl; see also platinum tetrachloride. platinum dichloride : A platinum coordination entity consisting of platinum(II) bound to two chlorine atoms. | 3.51 | 8 | 0 | platinum coordination entity | catalyst; reagent |
| citalopram Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. | 2.13 | 1 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
| clenbuterol Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. | 7.08 | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
| clioquinol Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.. 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease. | 2.01 | 1 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
| clonazepam Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.. clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. | 2.21 | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
| clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. | 2.25 | 1 | 0 | clonidine; imidazoline | |
| cloxyquin cloxyquin: has antitubercular activity; structure in first source | 2.07 | 1 | 0 | organochlorine compound; quinolines | |
| cystamine [no description available] | 2 | 1 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
| dantrolene Dantrolene: Skeletal muscle relaxant that acts by interfering with excitation-contraction coupling in the muscle fiber. It is used in spasticity and other neuromuscular abnormalities. Although the mechanism of action is probably not central, dantrolene is usually grouped with the central muscle relaxants.. dantrolene : The hydrazone resulting from the formal condensation of 5-(4-nitrophenyl)furfural with 1-aminohydantoin. A ryanodine receptor antagonist used for the relief of chronic severe spasticity and malignant hyperthermia. | 2.31 | 1 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
| deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator. | 2.03 | 1 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
| atenolol [no description available] | 2.11 | 1 | 0 | ||
| dibenzothiophene dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 7.48 | 2 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
| diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. | 3.46 | 7 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 2.44 | 2 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
| ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | 3.3 | 6 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
| dichlorophen Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.) | 2.05 | 1 | 0 | bridged diphenyl fungicide; diarylmethane | |
| diethyl pyrocarbonate Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid. | 2.41 | 2 | 0 | acyclic carboxylic anhydride | |
| pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium. | 3.39 | 1 | 1 | pentacarboxylic acid | copper chelator |
| diflunisal Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. | 2.41 | 1 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| 3,3'-diindolylmethane 3,3'-diindolylmethane: anti-inflammatory from edible cruciferous vegetables; a cytochrome P-450 antagonist | 2.08 | 1 | 0 | indoles | antineoplastic agent; P450 inhibitor |
| dimaprit Dimaprit: A histamine H2 receptor agonist that is often used to study the activity of histamine and its receptors. | 2.41 | 1 | 0 | imidothiocarbamic ester | |
| dimercaprol Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.. dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. | 1.94 | 1 | 0 | dithiol; primary alcohol | chelator |
| diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. | 2.07 | 1 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
| benzophenone benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | 2.47 | 2 | 0 | benzophenones | photosensitizing agent; plant metabolite |
| stallimycin [no description available] | 2.06 | 1 | 0 | ||
| diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 7.08 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
| valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. | 2.11 | 1 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
| doxazosin Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.. doxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure. | 3.39 | 1 | 1 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
| sarcosine dithiocarbamate sarcosine dithiocarbamate: protects against toxicity of alkylating agents | 2.42 | 2 | 0 | ||
| ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | 3.41 | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
| endosulfan Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10. | 7.48 | 2 | 0 | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
| epirizole Epirizole: 4-Methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine. A pyrimidinyl pyrazole with antipyretic, analgesic, and anti-inflammatory activity. | 2.41 | 2 | 0 | aromatic ether | |
| erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | 3.65 | 9 | 0 | ||
| ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 3.69 | 9 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
| ethylenediamine ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane. | 4.07 | 14 | 0 | alkane-alpha,omega-diamine | GABA agonist |
| famotidine Famotidine: A competitive histamine H2-receptor antagonist. Its main pharmacodynamic effect is the inhibition of gastric secretion. | 7.4 | 2 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
| fenofibrate Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | 2.21 | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
| fexofenadine fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl. fexofenadine : A piperidine-based anti-histamine compound. | 7.15 | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
| 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. | 8.09 | 4 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
| flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain. | 2.75 | 3 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species. | 7.07 | 5 | 2 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
| fomepizole Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4. | 2.11 | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
| furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. | 6.97 | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
| gabapentin Gabapentin: A cyclohexane-gamma-aminobutyric acid derivative that is used for the treatment of PARTIAL SEIZURES; NEURALGIA; and RESTLESS LEGS SYNDROME.. gabapentin : A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. | 3.31 | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
| gemfibrozil [no description available] | 2.25 | 1 | 0 | aromatic ether | antilipemic drug |
| gliclazide Gliclazide: An oral sulfonylurea hypoglycemic agent which stimulates insulin secretion. | 2.49 | 2 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
| glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | 8.72 | 10 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
| guaiazulene guaiazulene: structure | 7.08 | 1 | 0 | sesquiterpene | |
| guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines. | 8 | 4 | 0 | carboxamidine; guanidines; one-carbon compound | |
| haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 2.91 | 4 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. | 1.97 | 1 | 0 | harmala alkaloid | oneirogen |
| harmalol harmalol: inhibitor of rat liver microsomal UDP-glucuronyltransferase; RN given refers to parent cpd; structure. harmalol : A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. | 1.97 | 1 | 0 | harmala alkaloid | algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| beta-thujaplicin beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. | 2.31 | 1 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
| ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA. | 8.85 | 11 | 0 | phenanthridines | fluorochrome; intercalator |
| hydralazine Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.. hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. | 2.02 | 1 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
| ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 8.05 | 4 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
| 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. | 7.85 | 3 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. | 2.48 | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| indole-3-carbinol indole-3-carbinol: occurs in edible cruciferous vegetables. indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. | 2.08 | 1 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
| indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.54 | 2 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
| iodoquinol Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.. iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. | 2.01 | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
| iohexol Iohexol: An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.. iohexol : A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. | 2.04 | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
| iopromide iopromide: structure given in first source. iopromide : A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. | 2.04 | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
| 2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. | 8.71 | 9 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
| staurosporine aglycone staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor | 2.21 | 1 | 0 | ||
| kinetin Kinetin: A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects.. cytokinin : A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots.. kinetin : A member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group. | 2.01 | 1 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
| 2-phenylglycine 2-phenylglycine: RN given refers to cpd without isomeric designation; structure. alpha-phenylglycine : An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. | 2.11 | 1 | 0 | non-proteinogenic alpha-amino acid | human metabolite |
| beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | 2.6 | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| tetramisole 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole : An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group.. tetramisole : A racemate comprising equimolar amounts of levamisole and dexamisole. | 2.25 | 1 | 0 | imidazothiazole | environmental contaminant; xenobiotic |
| losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position | 2.11 | 1 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
| malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. | 3.02 | 4 | 0 | diester; ethyl ester; organic thiophosphate | |
| edaravone [no description available] | 7.13 | 1 | 0 | pyrazolone | antioxidant; radical scavenger |
| mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis. | 7.17 | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| mequitazine mequitazine: RN given refers to parent cpd without isomeric designation; structure | 7.42 | 2 | 0 | phenothiazines | |
| metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. | 8.69 | 2 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; 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. | 2.1 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| methyl parathion Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. | 2.03 | 1 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
| methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid. | 3.19 | 5 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
| metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. | 2 | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
| mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. | 1.97 | 1 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
| monodansylcadaverine monodansylcadaverine: inhibits cross linkage of fibrin. monodansylcadaverine : A sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)naphthalene-1-sulfonic acid with one of the amino groups of cadaverine. | 2.11 | 1 | 0 | aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent |
| n-bromoacetamide [no description available] | 2.03 | 1 | 0 | ||
| nafoxidine Nafoxidine: An estrogen antagonist that has been used in the treatment of breast cancer. | 2.17 | 1 | 0 | benzenes; naphthalenes; ring assembly | |
| niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. | 7.11 | 1 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
| nimesulide nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. | 2.21 | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | 7.05 | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
| nitidine nitidine: RN given refers to parent cpd; synonym NSC 146397 refers to chloride; structure | 7.06 | 1 | 0 | phenanthridines | |
| norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. | 7.75 | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
| ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. | 3.14 | 5 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
| olomoucine olomoucine: inhibits protein P34CDC2. olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. | 7.01 | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| 1,2-cyclohexanediamine 1,2-cyclohexanediamine: RN given refers to cpd without isomeric designation | 2.52 | 2 | 0 | primary aliphatic amine | |
| oxiracetam oxiracetam: structure in first source | 2.15 | 1 | 0 | organonitrogen compound; organooxygen compound | |
| quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 4.01 | 13 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| 4-chlorophenol 4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 4.04 | 13 | 0 | monochlorophenol | |
| pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties. | 4.63 | 25 | 0 | aromatic amine | |
| patulin Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. | 2.41 | 1 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
| pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 7 | 1 | 0 | barbiturates | GABAA receptor agonist |
| pheniramine Pheniramine: One of the HISTAMINE H1 ANTAGONISTS with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. | 2.06 | 1 | 0 | pyridines; tertiary amino compound | |
| phentermine Phentermine: A central nervous system stimulant and sympathomimetic with actions and uses similar to those of DEXTROAMPHETAMINE. It has been used most frequently in the treatment of obesity. | 1.95 | 1 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
| o-phthalaldehyde o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. | 2.05 | 1 | 0 | benzaldehydes; dialdehyde | epitope |
| piperazine [no description available] | 2.47 | 2 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
| piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent. | 2.15 | 1 | 0 | organonitrogen compound; organooxygen compound | |
| potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 2.44 | 2 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
| potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals. | 2.35 | 2 | 0 | potassium salt | expectorant; radical scavenger |
| 4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. | 2.47 | 2 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively. | 3.84 | 2 | 1 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| prochlorperazine Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. | 2.15 | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
| propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. | 2.59 | 2 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
| protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. | 2 | 1 | 0 | ||
| resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 2.07 | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
| rizatriptan rizatriptan: structure given in first source; RN given refers to benzoate | 1.99 | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
| rolipram [no description available] | 7.48 | 2 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. | 3.47 | 7 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
| safrole Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | 4.56 | 7 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
| carbamylhydrazine carbamylhydrazine: RN given refers to parent cpd | 2.03 | 1 | 0 | carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas | |
| simazine Simazine: A triazine herbicide.. simazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. | 2.6 | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| sodium fluoride [no description available] | 5.6 | 5 | 1 | fluoride salt | mutagen |
| sodium iodide Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion. | 2.73 | 3 | 0 | inorganic sodium salt; iodide salt | |
| stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | 2.15 | 1 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
| streptonigrin [no description available] | 2.45 | 2 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
| vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). | 7.13 | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 7.15 | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
| sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. | 2.11 | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
| sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. | 4.57 | 1 | 1 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
| sulfanilamide [no description available] | 2.52 | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| terazosin Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia | 8.84 | 2 | 1 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
| terbutaline Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group. | 2.41 | 1 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
| terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME. | 2.15 | 1 | 0 | diarylmethane | |
| tetracaine Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.. tetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia. | 2.31 | 1 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
| krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs. | 3.04 | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
| thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group. | 7.1 | 1 | 0 | phthalimides; piperidones | |
| 2-thiosalicylic acid 2-thiosalicylic acid: a degradation product of thimerosal; RN given refers to parent cpd. thiosalicylic acid : A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. | 2.07 | 1 | 0 | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic |
| thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. | 2.05 | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
| tinidazole Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.. tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent. | 3.31 | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
| tiopronin Tiopronin: Sulfhydryl acylated derivative of GLYCINE. | 2.38 | 2 | 0 | N-acyl-amino acid | |
| tizanidine tizanidine: RN given refers to parent cpd; structure. tizanidine : 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites. | 2.25 | 1 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
| tolmetin Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. | 2.25 | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| triclosan [no description available] | 7.83 | 3 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
| trientine Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens. | 2.31 | 1 | 0 | polyazaalkane; tetramine | copper chelator |
| urethane [no description available] | 7.37 | 2 | 0 | carbamate ester | fungal metabolite; mutagen |
| usnic acid [no description available] | 7.01 | 1 | 0 | benzofurans | |
| zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions. | 3.53 | 8 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
| mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 7.98 | 4 | 0 | mitomycin | alkylating agent; antineoplastic agent |
| corticosterone [no description available] | 3.5 | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 2.15 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
| estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl. | 2.13 | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
| reserpine Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. | 2.07 | 1 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
| sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol). | 7.17 | 1 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
| alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. | 7.06 | 1 | 0 | pyrimidone | hyperglycemic agent; metabolite |
| thymidine [no description available] | 8.78 | 11 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
| floxuridine Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. | 7.11 | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
| benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole. | 8.19 | 5 | 0 | benzimidazole; polycyclic heteroarene | |
| 2-aminophenol [no description available] | 3.33 | 6 | 0 | aminophenol | bacterial metabolite |
| hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group. | 6.95 | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
| spironolactone Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. | 2.17 | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| aldosterone [no description available] | 3.49 | 2 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
| penicillamine Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. | 3.25 | 6 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
| estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 3.17 | 5 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. | 2.44 | 2 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| idoxuridine [no description available] | 3.67 | 9 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
| pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. | 1.95 | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
| biguanides Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton. | 1.94 | 1 | 0 | guanidines | |
| dipropylenetriame N-(3-aminopropyl)-1,3-propanediamine: structure in first source | 2.08 | 1 | 0 | polyazaalkane | algal metabolite; plant metabolite |
| carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 5.41 | 4 | 1 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
| 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. | 4.45 | 20 | 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 |
| serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. | 3.4 | 7 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid. | 8.51 | 8 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
| glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. | 2.06 | 1 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine. | 3.54 | 8 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide. | 7.23 | 69 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 7.74 | 3 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
| sulfamic acid sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure. sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms. | 3.34 | 6 | 0 | sulfamic acids | |
| sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 8.23 | 6 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
| ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. | 2.15 | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| 9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. | 2.15 | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
| aminopyrine Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. | 2.07 | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| tetrabenazine 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7. | 2.05 | 1 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
| adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | 2.9 | 4 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
| 2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 5.21 | 45 | 0 | tetrachlorophenol | xenobiotic metabolite |
| uridine [no description available] | 3.61 | 9 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
| uridine monophosphate Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. uridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. | 2.1 | 1 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| uridine diphosphate Uridine Diphosphate: A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. | 2.17 | 1 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
| kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components. | 2.1 | 1 | 0 | kanamycins | bacterial metabolite |
| bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors. | 2.73 | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
| galactose galactopyranose : The pyranose form of galactose. | 8.41 | 7 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
| carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. | 6.7 | 40 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
| phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. | 2.21 | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
| benzoxazolone benzoxazolone: RN given refers to parent cpd; structure. 2-benzoxazolinone : A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. | 2.11 | 1 | 0 | benzoxazole | allelochemical; phytoalexin |
| levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease | 7.42 | 2 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
| edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 4.02 | 14 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
| tributyrin tributyrin: structure. tributyrin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. | 2.07 | 1 | 0 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
| phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2.77 | 3 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
| tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 4.11 | 15 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2. | 2.68 | 3 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
| adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | 2.02 | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| 3-hydroxy-2-oxoindole 3-hydroxyindolin-2-one: structure in first source. 3-hydroxyindolin-2-one : An oxindole that is 1,3-dihydro-2H-indol-2-one substituted by a hydroxy group at position 3. | 2.06 | 1 | 0 | hydroxyindoles; oxindoles | |
| cloxacillin Cloxacillin: A semi-synthetic antibiotic that is a chlorinated derivative of OXACILLIN.. cloxacillin : A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. | 2.41 | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
| methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. | 4.18 | 14 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
| 4-toluenesulfonic acid 4-toluenesulfonic acid: RN given refers to parent cpd; other RNs in 9th CI Form Index. toluene-4-sulfonic acid : An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. | 2.78 | 3 | 0 | arenesulfonic acid; toluenes | |
| leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. | 3.88 | 12 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| aniline [no description available] | 5.25 | 47 | 0 | anilines; primary arylamine | |
| dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents. | 2.44 | 2 | 0 | nitrosamine | geroprotector; mutagen |
| cytidine monophosphate Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. cytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. | 2.02 | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| uridine triphosphate Uridine Triphosphate: Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety. | 2.82 | 3 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
| lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose. | 7.7 | 3 | 0 | lactose | |
| methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. | 5.48 | 20 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
| phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. | 4.67 | 26 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 8.25 | 6 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| cytidine [no description available] | 8.08 | 5 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta. | 2.1 | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
| barbituric acid barbituric acid: RN given refers to parent cpd; structure from Merck Index, 9th ed, #966. barbituric acid : A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. | 2.53 | 2 | 0 | barbiturates | allergen; xenobiotic |
| chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 3.64 | 9 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| dimethyl sulfone [no description available] | 2.77 | 3 | 0 | sulfone | |
| gliotoxin Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. | 2.05 | 1 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
| sodium citrate, anhydrous Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.. sodium citrate : The trisodium salt of citric acid. | 2.5 | 2 | 0 | organic sodium salt | anticoagulant; flavouring agent |
| dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | 3.85 | 11 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
| tubercidin Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.. tubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus. | 1.97 | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
| ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. | 1.98 | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
| mannitol [no description available] | 2.9 | 4 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
| cytarabine [no description available] | 2.05 | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
| phenacyl bromide phenacyl bromide: structure. phenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. | 2.11 | 1 | 0 | acetophenones; alpha-bromoketone | metabolite |
| ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. | 2.65 | 3 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
| 2-thiomalic acid [no description available] | 2.07 | 1 | 0 | C4-dicarboxylic acid | |
| 4-toluenesulfonamide 4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4. | 2.31 | 1 | 0 | sulfonamide | |
| histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 5.48 | 20 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| n-pentanol n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | 2.76 | 3 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
| 1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 2.05 | 1 | 0 | chloroethanes | polar solvent |
| valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine. | 3.24 | 6 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. | 2.38 | 2 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| dichlorodiphenyldichloroethane Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482) | 2.44 | 2 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
| methandrostenolone Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188) | 2.13 | 1 | 0 | organic molecular entity | |
| 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. | 4.98 | 35 | 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 |
| isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine. | 7.76 | 3 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 8 | 4 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
| ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms. | 8.2 | 5 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
| ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 6.16 | 23 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
| acetylene [no description available] | 6.19 | 41 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| methyl iodide methyl iodide: RN given refers to unlabeled cpd with MF of CH3-I. iodomethane : A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine. | 5.19 | 8 | 0 | iodomethanes; methyl halides | fumigant insecticide |
| methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom. | 2.99 | 4 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
| boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron. | 6.22 | 42 | 0 | boranes; mononuclear parent hydride | |
| propane Propane: A three carbon alkane with the formula H3CCH2CH3. | 5.34 | 17 | 0 | alkane; gas molecular entity | food propellant |
| methylacetylene methylacetylene: structure | 7.8 | 3 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| ethyl chloride Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. | 3.17 | 1 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
| vinyl chloride Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. | 4.06 | 4 | 0 | chloroethenes; gas molecular entity; monohaloethene | carcinogenic agent |
| acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 4.16 | 15 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
| methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 4.26 | 5 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
| difluoromethane difluoromethane: structure given in first source | 7.91 | 3 | 0 | fluoromethanes | refrigerant |
| cyclopropane cyclopropane : A cycloalkane composed of three carbon atoms to form a ring. | 3.88 | 11 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
| ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. | 3.86 | 3 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
| vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. | 2.04 | 1 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
| fluorocarbon 22 [no description available] | 2.06 | 1 | 0 | hydrochlorofluorocarbon | |
| fluoroform fluoroform: structure | 2.03 | 1 | 0 | fluoromethanes | refrigerant |
| nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. | 3.48 | 7 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
| propylene oxide propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2. | 2.99 | 4 | 0 | epoxide | |
| tetramethylammonium tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups. | 2.06 | 1 | 0 | quaternary ammonium ion | |
| tert-butyl alcohol tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 2.72 | 3 | 0 | tertiary alcohol | human xenobiotic metabolite |
| dichlorodifluoromethane dichlorodifluoromethane: refrigerant,aerosol propellant | 2.06 | 1 | 0 | ||
| methanesulfonic acid [no description available] | 2.98 | 4 | 0 | alkanesulfonic acid; one-carbon compound | Escherichia coli metabolite |
| trimethylchlorosilane trimethylsilyl chloride: structure in first source. chlorotrimethylsilane : A silyl chloride consisting of a central silicon atom covalently bound to one chloro and three methyl groups. Chlorotrimethylsilane is a derivatisation agent used in gas chromatography/mass spectrometry applications. | 2.02 | 1 | 0 | silyl chloride | chromatographic reagent |
| acetone cyanohydrin acetone cyanohydrin: RN given refers to unlabeled cpd; structure | 2.1 | 1 | 0 | cyanohydrin | |
| trifluoroethanol Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. | 2 | 1 | 0 | fluoroalcohol | |
| tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. | 8.44 | 7 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
| pivalic acid pivalic acid: RN given refers to parent cpd; structure. pivalic acid : A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. | 2.97 | 4 | 0 | branched-chain saturated fatty acid; methyl-branched fatty acid; short-chain fatty acid | |
| trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | 3.67 | 9 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
| trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 3.94 | 12 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
| phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 7.11 | 28 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| dicyclopentadiene [no description available] | 7.06 | 1 | 0 | cyclic olefin | |
| divinyl sulfone divinyl sulfone: cross-linking reagent for agarose gels. divinyl sulfone : A sulfone compound having two S-vinyl substituents. | 2.06 | 1 | 0 | sulfone | cross-linking reagent |
| dimethyl sulfate dimethyl sulfate: RN given refers to unlabeled cpd; structure. dimethyl sulfate : The dimethyl ester of sulfuric acid. | 2.4 | 2 | 0 | alkyl sulfate | alkylating agent; immunosuppressive agent |
| tromethamine Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424) | 2.02 | 1 | 0 | primary amino compound; triol | buffer |
| tetraethyl lead Tetraethyl Lead: A highly toxic compound used as a gasoline additive. It causes acute toxic psychosis or chronic poisoning if inhaled or absorbed through the skin.. tetraethyllead : An organolead compound consisting of four ethyl groups joined to a central lead atom. | 1.95 | 1 | 0 | organolead compound | |
| 3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. | 2.06 | 1 | 0 | mercaptopropanoic acid | algal metabolite |
| triethyl phosphate triethyl phosphate: structure. triethyl phosphate : A trialkyl phosphate that is the triethy ester derivative of phosphoric acid. | 2.05 | 1 | 0 | trialkyl phosphate | |
| isophorone isophorone : A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5. | 7.77 | 3 | 0 | cyclic ketone; enone | plant metabolite; solvent |
| linalool linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. | 2.17 | 1 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
| isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 2.75 | 3 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
| isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd | 2.01 | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
| 2-butanol 2-butanol: RN given is for parent cpd without isomeric designation. butan-2-ol : A secondary alcohol that is butane substituted by a hydroxy group at position 2. | 2.03 | 1 | 0 | secondary alcohol | |
| methylethyl ketone methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. | 2.78 | 3 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
| 3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3. | 2.46 | 2 | 0 | enone; methyl ketone | |
| 1,1,2-trichloroethane 1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. | 2.05 | 1 | 0 | chloroethanes | |
| trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 4.86 | 32 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
| propionamide [no description available] | 2.1 | 1 | 0 | monocarboxylic acid amide; primary fatty amide | |
| acrylamide [no description available] | 8.35 | 6 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
| chloroacetamide [no description available] | 2.76 | 3 | 0 | ||
| acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. | 9.03 | 13 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
| methyl acetate methyl acetate : An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. | 2.04 | 1 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
| peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant. | 2.47 | 2 | 0 | a peroxy acid | disinfectant; oxidising agent |
| chlorotrifluoroethylene [no description available] | 2.07 | 1 | 0 | ||
| dichloroacetic acid [no description available] | 2.11 | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
| tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. | 2.08 | 1 | 0 | brominated flame retardant; bromobisphenol | |
| tetrachlorodian tetrachlorodian: used in the manufacture of synthetic resins | 2.08 | 1 | 0 | bisphenol | |
| bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 2.61 | 2 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
| cumene hydroperoxide cumene hydroperoxide: RN given refers to parent cpd. cumene hydroperoxide : A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. | 2.05 | 1 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
| methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. | 3.41 | 7 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
| rhodamine b rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome. | 3.35 | 6 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
| benzanthrone benzanthrone: RN given refers to parent cpd | 7.08 | 1 | 0 | phenanthrenes | |
| 1-aminoanthraquinone [no description available] | 2.11 | 1 | 0 | ||
| acenaphthene [no description available] | 7.6 | 1 | 0 | acenaphthenes | |
| lawsone lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. | 7.17 | 1 | 0 | ||
| rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | 2.11 | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
| 9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. | 2.53 | 2 | 0 | anthraquinone | |
| diethyl phthalate diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid. | 2.05 | 1 | 0 | diester; ethyl ester; phthalate ester | neurotoxin; plasticiser; teratogenic agent |
| phthalimide phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. | 7.97 | 4 | 0 | phthalimides | |
| pyocyanine Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa. | 2.25 | 1 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
| 1-(2-pyridylazo)-2-naphthol [no description available] | 7.42 | 2 | 0 | ||
| 1-naphthoic acid naphthoic acid : An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups. | 2.05 | 1 | 0 | naphthoic acid | bacterial xenobiotic metabolite; fungal xenobiotic metabolite |
| fluorene [no description available] | 3.01 | 4 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
| carbazole carbazole: structure in first source | 5.19 | 14 | 0 | carbazole | |
| phthalide 2-benzofuran-1(3H)-one : A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.. isobenzofuranone : A 2-benzofuran containing one or more oxo groups. | 3.63 | 8 | 0 | 2-benzofurans; gamma-lactone | |
| gramine gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. | 3.18 | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
| penicillanic acid Penicillanic Acid: A building block of penicillin, devoid of significant antibacterial activity. (From Merck Index, 11th ed). penicillanic acid : A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. | 6.96 | 1 | 0 | penicillanic acids | |
| 1,2,3-trichlorobenzene trichlorobenzene: commercial grade of trichlorobenzene containing 70% 1,2,4-trichlorobenzene & 30% 1,2,3-trichlorobenzene; see also record for 1,2,4-trichlorobenzene. trichlorobenzene : Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.. 1,2,3-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 2 and 3. | 2.5 | 2 | 0 | trichlorobenzene | |
| xylitol xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues. | 7.52 | 2 | 0 | ||
| 2,4,6-trichlorophenol [no description available] | 2.98 | 4 | 0 | trichlorophenol | carcinogenic agent |
| n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source | 3.93 | 12 | 0 | pyrrolidin-2-ones | |
| 2-furoic acid 2-furoic acid: RN given refers to parent cpd. furoic acid : A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.. 2-furoic acid : A furoic acid having the carboxylic acid group located at position 2. | 2.41 | 1 | 0 | furoic acid | bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite |
| 2-acetylthiophene 2-acetylthiophene: structure in first source | 7.45 | 2 | 0 | aromatic ketone | |
| 2-toluenesulfonamide 2-toluenesulfonamide: saccharin impurity; starting material for preparation of saccharin; structure | 2.04 | 1 | 0 | ||
| 2-iodobenzoic acid iodobenzoic acid : A member of the class of benzoic acids that is benzoic acid bearing at least one iodo substituent. | 2.44 | 2 | 0 | 2-halobenzoic acid; iodobenzoic acid | |
| anthranilamide [no description available] | 2.08 | 1 | 0 | substituted aniline | |
| 1-chloro-2-nitrobenzene [no description available] | 2.47 | 2 | 0 | C-nitro compound; monochlorobenzenes | |
| 2-nitroaniline [no description available] | 2.17 | 1 | 0 | ||
| salicylaldehyde o-hydroxybenzaldehyde: structure in first source | 8.61 | 8 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
| 1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. | 7.08 | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
| 1-naphthylphenylamine N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | 2.1 | 1 | 0 | naphthalenes | |
| aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections. | 2.46 | 2 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
| xanthone xanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. | 2.03 | 1 | 0 | xanthones | insecticide |
| pseudoephedrine Pseudoephedrine: A phenethylamine that is an isomer of EPHEDRINE which has less central nervous system effects and usage is mainly for respiratory tract decongestion.. pseudoephedrine : A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. | 2.07 | 1 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| benzhydrylamine [no description available] | 2.15 | 1 | 0 | ||
| decalin decalin: RN given refers to cpd without isomeric designation; don't confuse with decaline which has a nitrogen at the juncture of the two rings;. trans-decalin : The trans-stereoisomer of decalin.. decalin : An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. | 2.05 | 1 | 0 | ortho-fused bicyclic hydrocarbon | solvent |
| quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4. | 4.27 | 17 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
| quinoline [no description available] | 5.36 | 17 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
| isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | 3.47 | 7 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2. | 2.54 | 2 | 0 | naphthylamine | carcinogenic agent |
| tolonium chloride Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.. tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques. | 2.6 | 1 | 0 | ||
| pyronine Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. | 6.97 | 1 | 0 | iminium salt; organic chloride salt | histological dye |
| diphenyl diphenyl: RN given refers to unlabeled cpd; structure | 3.81 | 10 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| phenylpiperazine phenylpiperazine: RN given refers to parent cpd | 7.48 | 2 | 0 | ||
| proflavine Proflavine: Topical antiseptic used mainly in wound dressings.. 3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds. | 7.05 | 1 | 0 | aminoacridines | antibacterial agent; antiseptic drug; carcinogenic agent; chromophore; intercalator |
| 2,5-diphenyloxazole [no description available] | 2.06 | 1 | 0 | ||
| xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | 4.61 | 25 | 0 | xanthene | |
| phenothiazine 10H-phenothiazine : The 10H-tautomer of phenothiazine. | 2.11 | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
| thianthrene thianthrene: in its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation; structure. thianthrene : The organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. | 2.31 | 1 | 0 | mancude organic heterotricyclic parent; organosulfur heterocyclic compound; thianthrenes | |
| 4,4'-dihydroxybiphenyl biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. | 2.03 | 1 | 0 | hydroxybiphenyls | |
| creosol [no description available] | 2.1 | 1 | 0 | methoxybenzenes; phenols | |
| styrene glycol styrene glycol: RN given refers to cpd without isomeric designation | 2.44 | 2 | 0 | benzenes | |
| benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry. | 2.41 | 2 | 0 | carbonyl compound | |
| indene indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. | 2.52 | 2 | 0 | indene; ortho-fused bicyclic arene | |
| benzotriazole benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid. benzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. | 3.17 | 5 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
| benzothiophene [no description available] | 5.3 | 16 | 0 | 1-benzothiophenes; benzothiophene | |
| benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | 7.04 | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
| 2-xylene 2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | 2.08 | 1 | 0 | xylene | |
| 2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. | 2.11 | 1 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
| 2-chloroaniline [no description available] | 2.05 | 1 | 0 | ||
| 2-toluidine 2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group. | 2.03 | 1 | 0 | aminotoluene | carcinogenic agent |
| 1,2-diaminobenzene 1,2-diaminobenzene: RN given refers to parent cpd. 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other. | 2.15 | 1 | 0 | phenylenediamine | hydrogen donor |
| 2-bromophenol bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 8 | 4 | 0 | bromophenol | marine metabolite |
| 2-chlorophenol chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 7.48 | 2 | 0 | 2-halophenol; monochlorophenol | |
| 1,2,4,5-tetrachlorobenzene 1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5. | 7.04 | 1 | 0 | tetrachlorobenzene | |
| thioglycerol thioglycerol: potentiates action of bradykinin in guinea-pig ileum; RN given refers to parent cpd; structure. monothioglycerol : A thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group. | 2.11 | 1 | 0 | propane-1,2-diols; thiol | reducing agent; vulnerary |
| methyl acrylate [no description available] | 3.29 | 6 | 0 | enoate ester | |
| cyclopentanol [no description available] | 2.21 | 1 | 0 | cyclopentanols | |
| 2-methyltetrahydrofuran 2-methyltetrahydrofuran: structure in first source | 2.93 | 3 | 0 | ||
| 4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 4.24 | 17 | 0 | butan-4-olide | metabolite; neurotoxin |
| n-methylpyrrole [no description available] | 2.05 | 1 | 0 | pyrroles | |
| lactobionic acid [no description available] | 1.97 | 1 | 0 | disaccharide | antioxidant |
| ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. | 2.05 | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
| triethylborane triethylborane: used in the radical deuteration reaction of ribonucleoside derivatives | 2.02 | 1 | 0 | ||
| tetrahydrofurfuryl alcohol tetrahydrofurfuryl alcohol: RN given refers to parent cpd; structure. tetrahydrofurfuryl alcohol : A primary alcohol that is methanol in which one of the hydrogens of the methyl group has been replaced by a tetrahydrofuran-2-yl group. | 2.49 | 2 | 0 | oxolanes; primary alcohol | protic solvent |
| furfuryl alcohol furfuryl alcohol: structure. furfuryl alcohol : A furan bearing a hydroxymethyl substituent at the 2-position. | 2.08 | 1 | 0 | furans; primary alcohol | Maillard reaction product |
| furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 9.04 | 13 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
| benzotrifluoride alpha,alpha,alpha-trifluorotoluene: structure in first source. (trifluoromethyl)benzene : A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. | 2.75 | 3 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
| benzenesulfonyl chloride benzenesulfonyl chloride: structure | 2.11 | 1 | 0 | ||
| pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration. | 2.78 | 3 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
| 1-phenethylamine 1-phenethylamine: RN given refers to cpd without isomeric designation. 1-phenylethylamine : A phenylethylamine that is ethylamine substituted by a phenyl group at position 1. | 2.11 | 1 | 0 | phenylethylamine | human metabolite |
| methylphenyl carbinol 1-phenylethanol : An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.. methylbenzyl alcohol : Members of the class of benzyl alcohols substituted by at least one methyl group. | 2.07 | 1 | 0 | aromatic alcohol | mouse metabolite |
| acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 7.92 | 4 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
| benzoyl chloride benzoyl chloride: potential carcinogens in manufacturing process. benzoyl chloride : An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals. | 2.73 | 3 | 0 | acyl chloride; benzenes | carcinogenic agent |
| nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 3.5 | 7 | 0 | nitroarene; nitrobenzenes | |
| 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. | 10.81 | 6 | 1 | botanical anti-fungal agent; carvones | allergen |
| 4-bromoacetophenone [no description available] | 2.77 | 3 | 0 | ||
| 4-chloroacetophenone [no description available] | 2.11 | 1 | 0 | ||
| 4-aminoacetophenone [no description available] | 7.21 | 1 | 0 | ||
| 4-nitrotoluene 4-nitrotoluene: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6470. mononitrotoluene : A nitrotoluene bearing a single nitro substituent at any position. A "closed class".. 4-nitrotoluene : A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. | 2.05 | 1 | 0 | mononitrotoluene | |
| 4-chloronitrobenzene [no description available] | 2.47 | 2 | 0 | C-nitro compound | |
| 4-nitroaniline [no description available] | 2.15 | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
| benzyl bromide benzyl bromide: structure given in first source. benzyl bromide : A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine. | 3.32 | 6 | 0 | benzyl bromides | lachrymator |
| styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. | 4.59 | 24 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
| benzyl chloride benzyl chloride: RN given refers to unlabeled cpd. chlorophenylmethane : A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position.. benzyl chloride : A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine. | 3.67 | 9 | 0 | benzyl chlorides | |
| benzylamine aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | 8.15 | 5 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
| benzonitrile benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 9.58 | 7 | 0 | benzenes; nitrile | |
| anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 2.78 | 3 | 0 | monomethoxybenzene | plant metabolite |
| quinuclidines Quinuclidines: A class of organic compounds which contain two rings that share a pair of bridgehead carbon atoms and contains an amine group. | 2.44 | 2 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
| triphenyl phosphite [no description available] | 2.04 | 1 | 0 | ||
| 4-bromophenyl phenyl ether 4-bromodiphenyl ether: induces apoptosis. 4-bromophenyl phenyl ether : An aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. | 3.31 | 1 | 0 | aromatic ether; organobromine compound | |
| diphenylmethane diphenylmethane : A diarylmethane that is methane substituted by two phenyl groups. | 2.8 | 3 | 0 | diarylmethane | |
| 2-benzylpyridine 2-benzylpyridine: an inducer of hepatic microsomal cytochrome P450 | 2.11 | 1 | 0 | ||
| dicyclohexylamine dicyclohexylamine: potent inhibitor of spermidine synthase; RN given refers to parent cpd | 1.99 | 1 | 0 | primary aliphatic amine | |
| phenyl ether diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. | 2.78 | 3 | 0 | aromatic ether | plant metabolite |
| triethanolamine triethanolamine: RN given refers to parent cpd. triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group. | 7.47 | 2 | 0 | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
| boric acid [no description available] | 2.42 | 2 | 0 | boric acids | astringent |
| n-methylbenzylamine N-methylbenzylamine: precursor of carcinogen benzylmethylnitrosamine; RN given refers to parent cpd | 2 | 1 | 0 | ||
| n-benzyl-n,n-dimethylamine [no description available] | 2.83 | 3 | 0 | ||
| ethyl bromoacetate [no description available] | 7.01 | 1 | 0 | ||
| ethyl cyanoacetate ethyl cyanoacetate: affect muscarinic and nicotinic receptors; RN given refers to unlabeled parent cpd | 2.44 | 2 | 0 | ||
| ethyl carbonate [no description available] | 2.11 | 1 | 0 | carbonate ester | |
| caprolactam Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2. | 2.59 | 2 | 0 | caprolactams | human blood serum metabolite |
| citronellal citronellal: aldehyde of citronellol; found in citronella oil. citronellal : A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. | 2.07 | 1 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
| 4-bromotoluene 4-bromotoluene: structure in first source | 2.49 | 2 | 0 | ||
| 4-bromophenol 4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another. | 2.15 | 1 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
| 4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4. | 2.11 | 1 | 0 | xylene | |
| 4-chlorotoluene 4-chlorotoluene: RN given refers to unlabeled cpd | 2.01 | 1 | 0 | monochlorobenzenes | |
| 4-chloroaniline 4-chloroaniline: RN given refers to parent cpd; structure. 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group. | 2.44 | 2 | 0 | chloroaniline; monochlorobenzenes | |
| 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. | 2.05 | 1 | 0 | aminotoluene | |
| propargyl bromide propargyl bromide: structure in first source | 3.19 | 5 | 0 | ||
| 1-butene but-1-ene : A butene with unsaturation at position 1. | 2.44 | 2 | 0 | butene | |
| 1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3. | 4.26 | 17 | 0 | butadiene | carcinogenic agent; mutagen |
| acrolein [no description available] | 3.3 | 6 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
| allyl chloride [no description available] | 2.98 | 4 | 0 | organochlorine compound | |
| allylamine Allylamine: Possesses an unusual and selective cytotoxicity for VASCULAR SMOOTH MUSCLE cells in dogs and rats. Useful for experiments dealing with arterial injury, myocardial fibrosis or cardiac decompensation. | 3.87 | 11 | 0 | alkylamine | |
| acrylonitrile [no description available] | 7.74 | 3 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
| allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. | 5.5 | 61 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
| propargyl alcohol propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. | 4.14 | 15 | 0 | propynol; terminal acetylenic compound; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite |
| glyoxal [no description available] | 2.43 | 2 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
| methyl formate methyl formate: RN given refers to parent cpd. methyl formate : A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. | 7.59 | 2 | 0 | formate ester; methyl ester; volatile organic compound | fumigant; insecticide; polar aprotic solvent; refrigerant |
| dimethyldioctadecylammonium dimethyldioctadecylammonium: a cationic lipid analog; RN given refers to parent cpd | 2.83 | 3 | 0 | ||
| 2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 3.16 | 5 | 0 | alkane | |
| 3-hydroxybutanal [no description available] | 3.67 | 9 | 0 | ||
| 2-cyanoacetamide 2-cyanoacetamide: used in fluorimetric labeling of monosaccharides; structure | 2.1 | 1 | 0 | ||
| vinyl acetate [no description available] | 2.46 | 2 | 0 | acetate ester | |
| malonamide malonamide : A dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups. | 7.05 | 1 | 0 | dicarboxylic acid diamide | |
| acetic anhydride acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid. | 2.77 | 3 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
| gamma-valerolactone gamma-valerolactone: metabolite of n-hexane; RN given refers to cpd with methyl moiety in position 5. gamma-valerolactone : A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. | 3.06 | 4 | 0 | butan-4-olide | flavouring agent; human xenobiotic metabolite |
| maleic anhydride Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. | 2.72 | 3 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
| propylene carbonate 4-methyl-1,3-dioxolan-2-one: structure in first source | 2.05 | 1 | 0 | ||
| 2,6-lutidine 2,6-dimethylpyridine : A member of the class of methylpyridines that is pyridine carrying methyl substituents at positions 2 and 6. | 2.25 | 1 | 0 | methylpyridines | |
| methyl malonate methyl malonate: do not confuse with methylmalonate, i.e., malonic acid substituted with a methyl group on C2; structure | 2.48 | 2 | 0 | ||
| mesitylene mesitylene: structure. 1,3,5-trimethylbenzene : A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. | 2.03 | 1 | 0 | trimethylbenzene | |
| gamma-collidine gamma-collidine: structure | 2.05 | 1 | 0 | methylpyridines | |
| cyanuric chloride cyanuric chloride : A chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides. | 2.08 | 1 | 0 | chloro-1,3,5-triazine; organochlorine compound | cross-linking reagent |
| melamine melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton. | 2.1 | 1 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
| bromobenzene [no description available] | 4 | 13 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
| chlorobenzene [no description available] | 3.14 | 5 | 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. | 4.52 | 7 | 0 | cyclohexanols; secondary alcohol | solvent |
| cyclohexanone [no description available] | 8.57 | 8 | 0 | cyclohexanones | human xenobiotic metabolite |
| thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | 2.81 | 3 | 0 | aryl thiol | |
| 2-chloropyridine 2-chloropyridine: structure given in first source | 2.05 | 1 | 0 | monochloropyridine | |
| 2-aminopyrimidine pyrimidin-2-amine : An aminopyrimidine carrying an amino group at position 2.. aminopyrimidine : A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. | 2.17 | 1 | 0 | aminopyrimidine | |
| triethylene glycol dimethacrylate [no description available] | 3.42 | 7 | 0 | ||
| 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. | 4.41 | 20 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
| dicyanmethane malononitrile : A dinitrile that is methane substituted by two cyano groups. | 3.11 | 4 | 0 | aliphatic nitrile; dinitrile | |
| ethyl vinyl ether ethyl vinyl ether: structure | 2.03 | 1 | 0 | ||
| vinyl ether vinyl ether: major descriptor (65-85); on-line search VINYL COMPOUNDS (66-85); Index Medicus search VINYL ETHER (65-85) | 3.28 | 6 | 0 | ether | |
| 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. | 8.61 | 154 | 0 | pyrrole; secondary amine | |
| tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 5.23 | 15 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
| furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid. | 4.23 | 16 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
| thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 8.2 | 102 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
| di-tert-butyl peroxide tert-butyl peroxide: structure in first source | 2.1 | 1 | 0 | ||
| n,n,n',n'-tetramethylethylenediamine N,N,N',N'-tetramethylethylenediamine: RN given refers to parent cpd; structure. N,N,N',N'-tetramethylethylenediamine : An ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation. | 2.04 | 1 | 0 | ethylenediamine derivative | catalyst; chelator |
| n,n'-methylenebisacrylamide [no description available] | 2.52 | 2 | 0 | ||
| n-hexane hexane : An unbranched alkane containing six carbon atoms. | 2.15 | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
| succinonitrile succinonitrile: structure | 2.06 | 1 | 0 | ||
| dimethylethylenediamine dimethylethylenediamine: structure in first source | 2.45 | 2 | 0 | ||
| 1,2-dimethoxyethane 1,2-dimethoxyethane: RN given refers to cpd with specified locants for methoxy moieties. 1,2-dimethoxyethane : A diether that is the 1,2-dimethyl ether of ethane-1,2-diol. | 7.83 | 3 | 0 | diether | non-polar solvent |
| cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. | 2.77 | 3 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
| cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond. | 9.66 | 8 | 0 | cycloalkene | |
| piperidine [no description available] | 2.94 | 4 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
| morpholine [no description available] | 3.31 | 6 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
| hexylamine hexylamine: RN given refers to parent cpd; structure. 1-hexanamine : A 6-carbon primary aliphatic amine. | 2.7 | 3 | 0 | primary aliphatic amine | metabolite |
| n-butyl vinyl ether vinilin: RN given refers to cpd with unknown MF; no further information available 10/91 | 2.03 | 1 | 0 | ||
| diethylenetriamine diethylenetriamine: RN given refers to parent cpd | 2.05 | 1 | 0 | polyazaalkane; triamine | |
| diethanolamine diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. | 7.98 | 4 | 0 | ethanolamines | human xenobiotic metabolite |
| diethylene glycol glycol ether : A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics. | 3.35 | 1 | 0 | hydroxyether | |
| 1-octene 1-octene: RN given refers to parent cpd. 1-octene : An octene with an unsaturation C-1. | 2.1 | 1 | 0 | octene | |
| octylamine octylamine: RN given refers to 1-octylamine. octan-1-amine : An 8-carbon primary aliphatic amine. | 2.06 | 1 | 0 | primary aliphatic amine | metabolite |
| triethylene glycol triethylene glycol : A poly(ethylene glycol) that is octane-1,8-diol in which the carbon atoms at positions 3 and 6 have been replaced by oxygen atoms. | 4.12 | 4 | 0 | diol; poly(ethylene glycol); primary alcohol | plasticiser |
| n-dodecane dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). | 2.07 | 1 | 0 | alkane | plant metabolite |
| tetraethylenepentamine [no description available] | 2.74 | 3 | 0 | polyazaalkane | copper chelator |
| propylene propylene: structure | 3.68 | 9 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
| 3-hydroxy-3-methylbutene 3-hydroxy-3-methylbutene: narcotic, sleep-producing principle from hops; RN given refers to parent cpd. 3-hydroxy-3-methylbut-1-ene : A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. | 2.11 | 1 | 0 | olefinic compound; tertiary alcohol | animal metabolite; fragrance; pheromone; plant metabolite |
| 2-methyl-3-butyn-2-ol 2-methyl-3-butyn-2-ol: structure | 2.49 | 2 | 0 | ||
| 2-methylbutanoic acid 2-methylbutanoic acid: RN given refers to parent cpd without isomeric designation. 2-methylbutyric acid : A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. | 2.02 | 1 | 0 | methylbutyric acid | bacterial metabolite; human metabolite |
| isatoic anhydride isatoic anhydride: structure given in first source | 2.99 | 4 | 0 | ||
| hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. | 7.49 | 2 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
| chloranil Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 2.04 | 1 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
| 2'-hydroxyacetophenone 2-acetylphenol : A monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. | 7.07 | 1 | 0 | monohydroxyacetophenone; phenols | flavouring agent |
| trinitrotoluene Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6. | 2.55 | 2 | 0 | trinitrotoluene | explosive |
| framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B. | 2.06 | 1 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
| isoquinoline [no description available] | 8.32 | 6 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
| 2,2'-biquinoline 2,2'-biquinoline: structure in first source | 2.03 | 1 | 0 | ||
| 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. | 2.78 | 3 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
| veratraldehyde [no description available] | 2.07 | 1 | 0 | benzaldehydes; dimethoxybenzene | antifungal agent |
| sulfoxide sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure. sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). | 4.56 | 7 | 0 | benzodioxoles | |
| 2,4-dichlorophenol 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. | 4.03 | 13 | 0 | dichlorophenol | |
| cyclopentanone [no description available] | 4.38 | 6 | 0 | cyclopentanones | Maillard reaction product |
| ethylene urea ethylene urea: used in manufacture of polymers, finishing agents for textiles & leather, in formulation of plasticizers, lacquers & adhesives; structure. imidazolidinone : An imidazolidine containing one or more oxo groups. | 2.31 | 1 | 0 | imidazolidinone; ureas | |
| ethyl vanillin ethyl vanillin : A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. | 2.11 | 1 | 0 | aromatic ether; benzaldehydes; phenols | antioxidant; flavouring agent |
| vanillic acid Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. | 2.31 | 1 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | plant metabolite |
| trimethyl borate trimethyl borate : A member of the class of borate esters obtained by the formal condensation of three equivalents of methanol with boric acid. | 2.31 | 1 | 0 | borate esters | |
| triethylamine [no description available] | 3.01 | 4 | 0 | tertiary amine | |
| 2,5-norbornadiene [no description available] | 2.44 | 2 | 0 | ||
| 2,4,7-trinitrofluorenone 2,4,7-trinitrofluorenone: structure | 2.03 | 1 | 0 | ||
| 1,4-naphthoquinone naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. | 7.06 | 1 | 0 | 1,4-naphthoquinones | |
| 1-nitroso-2-naphthol [no description available] | 2.08 | 1 | 0 | naphthols | |
| methyl anthranilate methyl anthranilate : A benzoate ester that is the methyl ester of anthranilic acid. | 2.05 | 1 | 0 | benzoate ester | flavouring agent; metabolite |
| 1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1. | 2.78 | 3 | 0 | naphthylamine | human xenobiotic metabolite |
| fluorodeoxyuridylate Fluorodeoxyuridylate: 5-Fluoro-2'-deoxyuridylate. An inhibitor of thymidylate synthetase. Formed from 5-fluorouracil or 5-fluorodeoxyuridine. | 2.02 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | |
| benzil benzil: structure. benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. | 2.1 | 1 | 0 | alpha-diketone; aromatic ketone | |
| 2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 9.26 | 17 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. | 7 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.11 | 1 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
| n-(hydroxyethyl)ethylenediaminetriacetic acid N-(hydroxyethyl)ethylenediaminetriacetic acid: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| benzyl acetate benzyl acetate : The acetate ester of benzyl alcohol. | 7.46 | 2 | 0 | acetate ester; benzyl ester | metabolite |
| estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | 2.17 | 1 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
| ethyl acrylate [no description available] | 3.17 | 5 | 0 | enoate ester | |
| n-butyl acrylate butyl acrylate : An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. | 8.46 | 7 | 0 | acrylate ester | |
| 2-hydroxypyridine hydroxypyridine : Any member of the class of pyridines with at least one hydroxy substituent.. pyridin-2-ol : A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. | 2.61 | 2 | 0 | monohydroxypyridine | plant metabolite |
| diallyl glycol carbonate CR 39: plastic used as a charged particle detector for superimposed autoradiography tissue images | 2.05 | 1 | 0 | ||
| hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid. | 7.06 | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
| cupric acetate [no description available] | 2.04 | 1 | 0 | ||
| n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). | 2.74 | 3 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
| hexadecylamine [no description available] | 2.53 | 2 | 0 | alkylamine | |
| tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays. | 7.04 | 1 | 0 | ||
| monomethylarsonic acid monomethylarsonic acid: structure given in first source | 2.06 | 1 | 0 | arsonic acids; one-carbon compound; organoarsonic acid | |
| copper phthalocyanine copper phthalocyanine: structure. copper(II) phthalocyanine : A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes. | 1.97 | 1 | 0 | ||
| ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. | 2.47 | 2 | 0 | dithiocarbamic acids | chelator; copper chelator |
| 1,4-dimethoxybenzene 1,4-dimethoxybenzene: structure given in first source | 2.08 | 1 | 0 | dimethoxybenzene | |
| aziridine [no description available] | 8.04 | 4 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
| catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 10.51 | 4 | 1 | catechin | antioxidant; plant metabolite |
| perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. | 3.46 | 7 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
| triphenylene triphenylene: structure. triphenylene : An ortho-fused polycyclic arene consisting of four fused benzene rings. | 2.06 | 1 | 0 | ortho-fused polycyclic arene | |
| benzo(b)fluorene benzo(b)fluorene: structure in first source | 2.07 | 1 | 0 | carbotetracyclic compound | |
| cinnoline cinnoline: structure in first source. cinnoline : An azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines. | 2.41 | 1 | 0 | azaarene; cinnolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
| quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. | 4.69 | 26 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
| acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. | 8.82 | 11 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
| dibenzo(1,4)dioxin dibenzo(1,4)dioxin: structure | 2.47 | 2 | 0 | dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene | |
| 5-azaindole [no description available] | 2.47 | 2 | 0 | ||
| indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | 6.08 | 21 | 0 | indazole | |
| benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. | 3.95 | 12 | 0 | 1-benzofurans; benzofuran | |
| benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton. | 4.57 | 23 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
| indolizine [no description available] | 2.05 | 1 | 0 | indolizines; mancude organic heterobicyclic parent | |
| azulene [no description available] | 2.1 | 1 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
| adamantane Adamantane: A tricyclo bridged hydrocarbon. | 4.79 | 9 | 0 | adamantanes; polycyclic alkane | |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 7.04 | 58 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent. | 4.42 | 20 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 7.89 | 98 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| thiazoles [no description available] | 6.52 | 57 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| 1,2,4-triazole 1,2,4-triazole: RN given refers to 1H-1,2,4-triazole | 7.78 | 3 | 0 | 1,2,4-triazole | |
| pyridazine pyridazine: structure given in first source | 2.03 | 1 | 0 | diazine; pyridazines | |
| pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. | 4.86 | 10 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
| pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 4.5 | 22 | 0 | diazine; pyrazines | Daphnia magna metabolite |
| nitroblue tetrazolium Nitroblue Tetrazolium: Colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease. | 6.96 | 1 | 0 | organic cation | |
| calcium gluconate [no description available] | 1.98 | 1 | 0 | calcium salt | nutraceutical |
| ephedrine Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. | 2.47 | 2 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| hydrazine diamine : Any polyamine that contains two amino groups. | 6.65 | 64 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| thiocyanate thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. | 7.46 | 2 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
| stibine [no description available] | 2.41 | 1 | 0 | antimony hydride; mononuclear parent hydride | |
| aminophylline Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.. aminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio. | 7.06 | 1 | 0 | mixture | bronchodilator agent; cardiotonic drug |
| methyl triflate [no description available] | 3.55 | 2 | 0 | ||
| diazomethane Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group. | 2.99 | 4 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
| perfluorooctanoic acid perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid. | 2.11 | 1 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
| perfluorobutane perfluorobutane: component of the echo contrast agent, BR14, which consists of perfluorobutane gas microbubbles. perflubutane : A fluorocarbon that is butane in which all of the hydrogens have been replaced by fluorines. Microbubbles of preflubutane are used in the ultrasound contrast agent BR14. | 2.03 | 1 | 0 | fluoroalkane; fluorocarbon; gas molecular entity | ultrasound contrast agent |
| galantamine Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils. | 3.18 | 5 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
| thymidine monophosphate Thymidine Monophosphate: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.. dTMP : The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). | 2.02 | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
| cyanoacetic acid cyanoacetic acid: RN given refers to parent cpd; structure. cyanoacetic acid : A monocarboxylic acid that consists of acetic acid bearing a cyano substituent. | 2.72 | 3 | 0 | monocarboxylic acid | |
| trifluoroethylamine trifluoroethylamine: RN given refers to cpd with unspecified fluorine locants | 7.15 | 1 | 0 | ||
| betamethasone Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724) | 1.94 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
| trifluoroacetic anhydride [no description available] | 2.07 | 1 | 0 | ||
| silicon carbide silicon carbide: fibers used for reinforcement of porcelain crowns; a feldspathic body (gingival) porcelain; used to coat titanium hip prostheses | 8.47 | 7 | 0 | organosilicon compound | |
| cyanamide Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. | 3.44 | 7 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| ethylene sulfide [no description available] | 2.71 | 3 | 0 | organosulfur heterocyclic compound; saturated organic heteromonocyclic parent | |
| thiazolidine-4-carboxylic acid thiazolidine-4-carboxylic acid: active against thimerosal intoxication; acts on cell membranes of tumor cells causing reverse transformation to normal cells; RN given refers to parent cpd | 1.99 | 1 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
| 2-aminopurine 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).. aminopurine : Any purine having at least one amino substituent.. 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. | 7.76 | 3 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
| 4-methylcatechol [no description available] | 2.02 | 1 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
| cyanogen cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups. | 3.03 | 4 | 0 | dinitrile; pseudohalogen | |
| hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 8.33 | 6 | 0 | imidazolidine-2,4-dione | |
| fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. | 3.87 | 11 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| propadiene [no description available] | 7.67 | 60 | 0 | allenes | |
| ketene ketene: structure. ketene : Carbonyl compounds where the C=O bond is conjugated to an alkylidene group. | 3.94 | 12 | 0 | ketene | |
| propiolic acid propiolic acid: RN given refers to parent cpd; structure. propynoic acid : A terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond. | 8.58 | 8 | 0 | acetylenic fatty acid; alpha,beta-unsaturated monocarboxylic acid; monounsaturated fatty acid; short-chain fatty acid; terminal acetylenic compound | xenobiotic metabolite |
| methylguanidine Methylguanidine: A product of putrefaction. Poisonous.. methylguanidine : A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group. | 2.08 | 1 | 0 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
| limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3. | 3.12 | 5 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
| oxamide oxamide: induces hydronephrosis in rat kidneys; structure. oxamide : A dicarboxylic acid diamide of oxalic acid. | 2.51 | 2 | 0 | dicarboxylic acid diamide | |
| chenodeoxycholic acid Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. | 2.25 | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| glycocholic acid Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.. glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.. glycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 7.31 | 1 | 0 | bile acid glycine conjugate | human metabolite |
| fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA. | 10.26 | 3 | 1 | ||
| indirubin [no description available] | 2.11 | 1 | 0 | ||
| phthalimidine phthalimidine: structure given in first source. isoindolin-1-one : A member of the class of isoindoles that is 2,3-dihydro-1H-isoindole in which the hydrogens at positon 1 are replaced by an oxo group. | 3.18 | 4 | 0 | gamma-lactam; isoindoles | |
| cytisine [no description available] | 3.82 | 3 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
| 9-fluorenone fluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. | 2.72 | 3 | 0 | fluoren-9-ones | fungal xenobiotic metabolite |
| kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. | 3.11 | 5 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
| indole-3-carbaldehyde indole-3-carbaldehyde: metabolite of tryptophan; structure. indole-3-carbaldehyde : A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. | 2.44 | 2 | 0 | heteroarenecarbaldehyde; indole alkaloid; indoles | bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite |
| phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. | 2.46 | 2 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
| 1,4-benzodioxan 1,4-benzodioxan: structure in first source | 2.11 | 1 | 0 | ||
| methyl red methyl red: RN given refers to parent cpd; structure. methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group. | 2.05 | 1 | 0 | ||
| benzohydroxamic acid [no description available] | 2.44 | 2 | 0 | ||
| fenazox fenazox: RN given refers to parent cpd without isomeric designation; structure given in first source. trans-azoxybenzene : An azoxybenzene with a trans-configuration.. cis-azoxybenzene : An azoxybenzene with a cis-configuration. | 2.5 | 2 | 0 | azoxy compound | |
| indoline indoline: structure given in first source | 5.01 | 36 | 0 | indoles | |
| dithiol dithiol: structure | 2.08 | 1 | 0 | ||
| 3-butene-1,2-diol 3-butene-1,2-diol: major industrial chemical; structure given in first source | 7.02 | 1 | 0 | ||
| sodium carbonate sodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structure | 2.76 | 3 | 0 | carbonate salt; organic sodium salt | |
| butenolide butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. | 3.76 | 10 | 0 | butenolide | |
| 2-norbornene norbornene : A bridged compound that is cyclohexane with a methylene bridge between carbons 1 and 4 and a double bond at position 2. | 4.23 | 14 | 0 | ||
| 2,4-pyridinedicarboxylic acid lutidinic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. | 2.02 | 1 | 0 | pyridinedicarboxylic acid | |
| biphenylacetylene biphenylacetylene : An arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups. | 2.75 | 3 | 0 | arylacetylene; benzenes | fluorochrome |
| azetidine [no description available] | 7.81 | 3 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
| orcinol orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure. orcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl. | 2.08 | 1 | 0 | 5-alkylresorcinol; dihydroxytoluene | Aspergillus metabolite |
| alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | 8.29 | 6 | 0 | ||
| thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES. | 4.81 | 9 | 0 | thiazolidine | |
| cyanogen bromide Cyanogen Bromide: Cyanogen bromide (CNBr). A compound used in molecular biology to digest some proteins and as a coupling reagent for phosphoroamidate or pyrophosphate internucleotide bonds in DNA duplexes. | 2.01 | 1 | 0 | ||
| thioacetic acid ethanethioic S-acid : A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. | 2.06 | 1 | 0 | thioacetic acid | |
| oleanolic acid [no description available] | 2.08 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
| podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | 2.73 | 3 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
| triphenylmethane triphenylmethane : A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes. | 2.11 | 1 | 0 | triarylmethane | environmental contaminant; xenobiotic |
| luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations. | 3.51 | 7 | 0 | ||
| angelicin angelicin: used as tranquillizer; sedative; or anticonvulsant; structure | 7.07 | 1 | 0 | furanocoumarin | |
| n-hydroxyphthalimide N-hydroxyphthalimide: causes contact dermititis | 2.75 | 3 | 0 | ||
| 1,2-naphthoquinone naphthalene-1,2-dione: structure given in first source. 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. | 2.21 | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
| 9-aminofluorene 9-Aminofluorene: structure in first source | 2.1 | 1 | 0 | ||
| tryptophol tryptophol : An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. | 1.99 | 1 | 0 | indolyl alcohol | auxin; plant metabolite; Saccharomyces cerevisiae metabolite |
| thiophene-2-carboxylate thiophene-2-carboxylic acid : A thiophenecarboxylic acid in which the carboxy group is located at position 2. | 7.71 | 3 | 0 | thiophenecarboxylic acid | |
| azomycin azomycin: RN given refers to parent cpd with specified locant; structure | 2.52 | 2 | 0 | C-nitro compound; imidazoles | antitubercular agent |
| cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue. | 2.02 | 1 | 0 | cellobiose | epitope |
| 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. | 3.17 | 5 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
| cesium carbonate [no description available] | 2.78 | 3 | 0 | ||
| 2-methylfuran 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. | 8.21 | 5 | 0 | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
| phenylacetylene phenylacetylene: can polymerize into DENDRIMERS | 3.44 | 7 | 0 | benzenes | |
| tropone [no description available] | 2.45 | 2 | 0 | ||
| 4-iodophenol [no description available] | 2.01 | 1 | 0 | iodophenol | |
| aminoacetonitrile Aminoacetonitrile: Cyanomethylamine. | 7.11 | 1 | 0 | ||
| 2,2,4-trimethylpentane 2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. | 2.1 | 1 | 0 | alkane; volatile organic compound | fuel additive; nephrotoxin; non-polar solvent |
| tert-butyl acetate [no description available] | 2.01 | 1 | 0 | ||
| uranyl acetate uranyl acetate: used after fixation in uranaffin procedure; RN given refers to parent cpd | 2.39 | 2 | 0 | ||
| maleimide [no description available] | 7.9 | 3 | 0 | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 1,3-dichlorobenzene 1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3. | 2.5 | 2 | 0 | dichlorobenzene | |
| delta-valerolactone [no description available] | 2.97 | 4 | 0 | delta-lactone | |
| 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. | 2.15 | 1 | 0 | dialdehyde | biomarker |
| aceturic acid aceturic acid: structure. N-acetylglycine : An N-acylglycine where the acyl group is specified as acetyl. | 2.15 | 1 | 0 | N-acetyl-amino acid; N-acylglycine | human metabolite |
| n-butyl nitrite n-butyl nitrite: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1570 | 2.1 | 1 | 0 | nitroso compound | |
| eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions. | 3.53 | 8 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
| phenalen-1-one phenalen-1-one: fossil fuel combustion product | 2.06 | 1 | 0 | ||
| resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure | 7.04 | 1 | 0 | phenoxazine | |
| hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. | 7.67 | 3 | 0 | ||
| neutral red Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | 1.99 | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
| lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems. | 2.04 | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
| 3-nitrophenol [no description available] | 2.02 | 1 | 0 | 3-nitrophenols | |
| tristearin tristearoylglycerol : A triglyceride that is glycerol in which all three hydroxy groups have been formally esterified with stearic acid. | 2.11 | 1 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite; plant metabolite |
| glycylglycine [no description available] | 2.38 | 2 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
| glycidol glycidol: structure given in first source | 2.11 | 1 | 0 | epoxide; primary alcohol | |
| 2-propenylurea [no description available] | 2.03 | 1 | 0 | ||
| carbon tetrabromide tetrabromomethane : A one-carbon compound substituted by 4 bromo groups. | 2 | 1 | 0 | bromomethanes | |
| perfluorocyclopentene perfluorocyclopentene: structure in first source | 7.07 | 1 | 0 | ||
| silver acetate silver acetate: RN refers to acetic acid, silver (1+) salt | 2.04 | 1 | 0 | ||
| malachite green malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture. | 7.01 | 1 | 0 | organic chloride salt | antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent |
| congo red Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. | 8.4 | 6 | 0 | bis(azo) compound | |
| docusate Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt. | 2.46 | 2 | 0 | diester; organosulfonic acid | |
| 3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | 2.08 | 1 | 0 | flavonols; monohydroxyflavone | |
| 8-aminoquinoline [no description available] | 3.9 | 11 | 0 | ||
| 1,2-dibromobenzene dibromobenzene : Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions. | 3.02 | 4 | 0 | dibromobenzene | |
| potassium carbonate potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid. | 3.19 | 5 | 0 | carbonate salt; potassium salt | catalyst; fertilizer; flame retardant |
| succinimide succinimide: RN given refers to parent cpd. succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. | 7.44 | 2 | 0 | dicarboximide; pyrrolidinone | |
| nitrosobenzene [no description available] | 2.05 | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
| 3-methylbenzyl alcohol 3-methylbenzyl alcohol : A methylbenzyl alcohol that is toluene in which one of the meta hydrogens has been replaced by a hydroxymethyl group. | 2.41 | 1 | 0 | methylbenzyl alcohol; primary alcohol | |
| diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. | 2.08 | 1 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
| 3-bromoaniline [no description available] | 2.77 | 3 | 0 | ||
| iodobenzene iodobenzene: RN given refers to unlabeled parent cpd | 9.37 | 19 | 0 | ||
| levulinic acid levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316. 4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position. | 2.13 | 1 | 0 | oxopentanoic acid; straight-chain saturated fatty acid | plant metabolite |
| allyl acetate allyl acetate: potential fumigant for treating stored grains | 3.88 | 11 | 0 | ||
| 1-hexene 1-hexene: structure in first source. 1-hexene : An alkene that is hexane carrying a double bond at position 1. | 2.74 | 3 | 0 | alkene | |
| 1,3-cyclohexadiene 1,3-cyclohexadiene: structure given in first source | 7.82 | 2 | 0 | cyclohexadiene | |
| octadecane octadecane: RN given refers to parent cpd. octadecane : A straight-chain alkane carrying 18 carbon atoms. | 2.05 | 1 | 0 | long-chain alkane | bacterial metabolite; plant metabolite |
| fluoromethane fluoromethane: RN given refers to parent cpd. fluorocarbon : Compounds consisting wholly of fluorine and carbon.. fluoromethane : A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom. | 2.02 | 1 | 0 | fluorohydrocarbon; fluoromethanes; methyl halides | refrigerant |
| vinyl bromide vinyl bromide: structure | 4.41 | 6 | 0 | bromoalkene; monohaloethene | |
| manganese carbonate [no description available] | 2.45 | 2 | 0 | ||
| 2-chloroacrylic acid 2-chloroacrylic acid : A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. | 2.05 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid | metabolite |
| triphenylphosphine triphenylphosphine: RN given refers to parent cpd. triphenylphosphine : A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. | 3.93 | 12 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
| 1-methylindole 1-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure. methylindole : Any member of the class of indoles carrying one or more methyl substituents. | 2.74 | 3 | 0 | ||
| 4-chloro-1-naphthol 4-chloro-1-naphthol: RN given refers to cpd with specified locants | 2.17 | 1 | 0 | ||
| 1,1'-binaphthyl 1,1'-binaphthyl: structure in first source | 2.06 | 1 | 0 | ||
| 5-nitroquinoline [no description available] | 2.1 | 1 | 0 | ||
| 2,4-dichloro-1-nitrobenzene [no description available] | 2.15 | 1 | 0 | ||
| 8-methylquinoline [no description available] | 2.45 | 2 | 0 | methylquinoline | |
| phenacylamine phenacylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6990 | 2.02 | 1 | 0 | aromatic ketone | |
| 2-iodobenzenamine 2-iodobenzenamine: structure in first source | 3.23 | 5 | 0 | ||
| 1-methyluracil 1-methyluracil: RN given refers to parent cpd; structure. 1-methyluracil : A pyrimidone that is uracil with a methyl group substituent at position 1. | 2 | 1 | 0 | nucleobase analogue; pyrimidone | metabolite |
| methyl carbonate methyl carbonate: RN given refers to unlabeled parent cpd; structure. dimethyl carbonate : A carbonate ester that is carbonic acid in which both hydrogens are replaced by methyl groups. A flammable, colourless liquid (m.p. 2-4degreeC, b.p. 90degreeC) with a characterstic ester-like odour, it is used as a 'green' methylating agent and as a solvent. | 2.08 | 1 | 0 | carbonate ester | reagent; solvent |
| 2-pyrrolidone 2-pyrrolidone: RN given refers to parent cpd. pyrrolidin-2-one : The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). | 2.07 | 1 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
| acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 8.33 | 6 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
| triethylsilane [no description available] | 2.74 | 3 | 0 | organosilicon compound | reducing agent |
| benzenesulfinic acid [no description available] | 7.45 | 2 | 0 | organosulfinic acid | |
| isovanillin isovanillin: inhibits aldehyde oxidase. isovanillin : A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. | 2.07 | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite |
| 1,4-dicyanobenzene 1,4-dicyanobenzene: occupational marker compound | 2.05 | 1 | 0 | ||
| diazoacetic ester diazoacetic ester: structure | 2.74 | 3 | 0 | ||
| 2,5-dimethylfuran 2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups. | 2.54 | 2 | 0 | furans | antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite |
| 3-iodoaniline 3-iodoaniline: the 125I cpd used for radiolabeling biotin; structure given in first source | 2.95 | 4 | 0 | ||
| 4-hydroxypyridine 4-pyridone: structure in first source. 4-hydroxypyridine : A monohydroxypyridine that is pyridine in which the hydrogen at position 4 has been replaced by a hydroxy group.. 4-pyridone : The simplest member of the class of pyridin-4-ones, that is 1,4-dihydropyridine in which the hydrogens at position 4 have been replaced by an oxo group. | 7.05 | 1 | 0 | 4-pyridones; monohydroxypyridine | |
| propylurea [no description available] | 7.04 | 1 | 0 | ||
| 1,4-cyclohexadiene [no description available] | 2.97 | 4 | 0 | cyclohexadiene | |
| hexamethylene glycol hexane-1,6-diol : A diol that is hexane substituted by hydroxy groups at positions 1 and 6. | 2.51 | 2 | 0 | diol; primary alcohol | |
| n-tetradecane tetradecane : A straight chain alkane consisting of 14 carbon atoms. | 2.05 | 1 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| c.i. 42510 Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. | 2.71 | 3 | 0 | ||
| fluoroacetamide 2-fluoroacetamide : Acetamide substituted at C-2 by a fluorine atom. | 2.1 | 1 | 0 | 2-fluoroacetamides | |
| nitrohexane nitrohexane: formed by deliberate nitrosation of corn; RN given refers to cpd with unspecified nitro locant; RN & N1 from 9th CI Form Index. 1-nitrohexane : A primary nitroalkane that is hexane substituted by a nitro group at position 1. | 2.05 | 1 | 0 | primary nitroalkane | human urinary metabolite |
| isosorbide Isosorbide: 1,4:3,6-Dianhydro D-glucitol. Chemically inert osmotic diuretic used mainly to treat hydrocephalus; also used in glaucoma. | 2.48 | 2 | 0 | organic molecular entity | |
| tetracyanoethylene tetracyanoethene: structure in first source | 2.04 | 1 | 0 | ||
| 2-piperidone 2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2. | 8.19 | 5 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
| pyridine n-oxide pyridine N-oxide: RN given refers to parent cpd. pyridine N-oxide : The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil. | 3.33 | 6 | 0 | pyridine N-oxides | drug metabolite |
| 2-hydroxy-1-naphthaldehyde 2-hydroxynaphthaldehyde: structure in first source. 2-hydroxy-1-naphthaldehyde : A member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). | 2.41 | 1 | 0 | naphthaldehydes; naphthols | |
| diphenyliodonium diphenyliodonium: RN given refers to the parent coumpound; inhibitor of neutrophil superoxide generating oxidase; structure has been determined | 2.08 | 1 | 0 | ||
| triphenylphosphine oxide triphenylphosphine oxide: used in the extraction, separation & spectrophotometric determination of cadmium & mercury in environmental samples. triphenylphosphane oxide : A phosphine oxide in which the substituents on phosphorus are three phenyl groups. | 2 | 1 | 0 | phosphine oxide | NMR chemical shift reference compound |
| 4-methylimidazole 4-methylimidazole: RN given refers to parent cpd. 4-methylimidazole : Imidazole substituted at position 4 by a methyl group. | 2.07 | 1 | 0 | imidazoles | carcinogenic agent; reaction intermediate |
| 4-nitrophenyl acetate [no description available] | 2.08 | 1 | 0 | C-nitro compound; phenyl acetates | |
| 4-phenoxyphenol [no description available] | 2.08 | 1 | 0 | phenoxyphenol | |
| 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. | 2.97 | 4 | 0 | enoate ester | allergen; polymerisation monomer |
| n-methylpyrrolidone 1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. | 2.07 | 1 | 0 | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
| amaranth dye Amaranth Dye: A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics. (From Merck Index, 11th ed) | 2.05 | 1 | 0 | ||
| hexafluoroisopropanol 1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane. | 2.59 | 2 | 0 | organofluorine compound; secondary alcohol | drug metabolite |
| dodecylamine dodecylamine: RN given refers to parent cpd | 7.61 | 2 | 0 | primary aliphatic amine | |
| 3,4-epoxy-1-butene 3,4-epoxy-1-butene: RN given refers to monomer | 3.89 | 3 | 0 | ||
| cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2. | 3.67 | 9 | 0 | alicyclic ketone; enone | Hsp70 inducer |
| 2-cyclohexen-1-one 2-cyclohexen-1-one: RN given refers to unlabeled cpd with specified locant for double bond. cyclohexenone : The parent compound of the cyclohexenones, composed of cyclohexanone having one double bond in the ring.. cyclohex-2-enone : A cyclohexenone having its C=C double bond at the 2-position. | 7.07 | 1 | 0 | cyclohexenone | |
| 2-aminobenzimidazole 2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd. 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. | 7.74 | 3 | 0 | benzimidazoles | marine xenobiotic metabolite |
| 1,2,3,4-tetrahydrocarbazole 1,2,3,4-tetrahydrocarbazole: structure in first source | 2.04 | 1 | 0 | ||
| deoxycytidine [no description available] | 2.74 | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| deoxyuridine [no description available] | 3.43 | 7 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| 2'-deoxyadenosine 2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first source | 2.44 | 2 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| rhodamine 6g rhodamine 6G: RN given refers to HCl | 2.11 | 1 | 0 | ||
| tri-n-butylphosphine [no description available] | 2.42 | 2 | 0 | ||
| hexamethylsilazane hexamethylsilazane: RN given refers to parent cpd | 2 | 1 | 0 | N-silyl compound | chromatographic reagent |
| 2-phenylpyridine 2-phenylpyridine: structure given in first source | 3.17 | 5 | 0 | ||
| ammonium bicarbonate ammonium bicarbonate: see also record for ammonium carbonate (di-NH4 salt) | 7.49 | 2 | 0 | organooxygen compound | |
| phenylglyoxal [no description available] | 2.1 | 1 | 0 | phenylacetaldehydes | |
| 4-vinylbenzoic acid [no description available] | 2.02 | 1 | 0 | ||
| 4-amino-3-phenylbutyric acid 4-amino-3-phenylbutyric acid: phenyl deriv of GABA; RN given refers to cpd without isomeric designation; structure | 2.11 | 1 | 0 | organonitrogen compound; organooxygen compound | |
| 4-(4-nitrobenzyl)pyridine [no description available] | 1.99 | 1 | 0 | ||
| nicotinamide mononucleotide Nicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN. | 2.31 | 1 | 0 | nicotinamide mononucleotide | Escherichia coli metabolite; mouse metabolite |
| pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. | 2.1 | 1 | 0 | pyridinecarbaldehyde | |
| 4-dimethylaminopyridine 4-dimethylaminopyridine: catalyst for acetylation of hydroxy cpds; structure | 7.03 | 1 | 0 | dialkylarylamine; tertiary amino compound | |
| n,n-dimethylguanidine N,N-dimethylguanidine: RN given refers to parent cpd; structure given in first source | 2.08 | 1 | 0 | ||
| 6-hydroxyhexanoic acid [no description available] | 2.11 | 1 | 0 | 6-hydroxy monocarboxylic acid; omega-hydroxy-medium-chain fatty acid; straight-chain fatty acid | bacterial xenobiotic metabolite |
| fenchone, (+-)-isomer fenchone: RN given refers to cpd with unspecified isomeric designation. fenchone : A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare). | 2.06 | 1 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | plant metabolite |
| 2,2'-dipyridylamine dipyridin-2-ylamine: structure in first source | 7.11 | 1 | 0 | ||
| dehydroepiandrosterone acetate 3beta-acetoxyandrost-5-en-17-one: structure in first source | 2.02 | 1 | 0 | steroid ester | |
| gallium arsenide [no description available] | 2.07 | 1 | 0 | ||
| durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH). | 3.39 | 6 | 0 | ||
| cadmium sulfide [no description available] | 3.34 | 6 | 0 | cadmium molecular entity | |
| germanium oxide germanium oxide: has antimutagenic effects; RN given refers to cpd with MF GeO2 | 2.6 | 1 | 0 | ||
| potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH | 3.15 | 5 | 0 | alkali metal hydroxide | |
| sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed) | 9.13 | 15 | 0 | alkali metal hydroxide | |
| manganese dioxide [no description available] | 2.57 | 2 | 0 | manganese molecular entity; metal oxide | |
| molybdenum trioxide [no description available] | 2.25 | 1 | 0 | molybdenum oxide | |
| zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock. | 8.12 | 27 | 1 | zinc molecular entity | |
| vanadium pentoxide [no description available] | 7.98 | 4 | 0 | vanadium oxide | |
| molybdenum disulfide [no description available] | 8.42 | 6 | 0 | sulfide salt | |
| cupric sulfide copper(II) sulfide : A copper sulfide in which the metal is in the +2 oxidation state. | 2.25 | 1 | 0 | ||
| beta-pinene beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. | 2.07 | 1 | 0 | pinene | plant metabolite |
| hydrofluoric acid Hydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.. hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.. organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond. | 2.45 | 2 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
| ammonium hydroxide Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water. | 2.05 | 1 | 0 | inorganic hydroxy compound | food acidity regulator |
| vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. | 2.25 | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
| d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 2.44 | 2 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| lysergol lysergol: structure given in first source; RN given refers to (8beta)-isomer. lysergol : An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8. | 2.46 | 2 | 0 | ergoline alkaloid | |
| picolinamide picolinamide: degradation product of diquat. pyridinecarboxamide : A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group.. picolinamide : A pyridinecarboxamide that is the monocarboxylic acid amide derivative of picolinic acid. | 3.61 | 8 | 0 | pyridinecarboxamide | |
| isonicotinamide isonicotinamide : A pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid. | 7.05 | 1 | 0 | pyridinecarboxamide | |
| 2,6-dimethoxybenzoic acid 2,6-dimethoxybenzoic acid: structure in first source | 2.05 | 1 | 0 | benzenes; carbonyl compound | |
| bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials. | 3.62 | 9 | 0 | diarylmethane | |
| methyl tert-butyl ether methyl tert-butyl ether: used to dissolve gallstones; gasoline additive. methyl tert-butyl ether : An ether having methyl and tert-butyl as the two alkyl components. | 2.49 | 2 | 0 | ether | fuel additive; metabolite; non-polar solvent |
| tert-butyl acrylate tert-butyl acrylate: structure in first source | 2.76 | 3 | 0 | ||
| diphenyldiselenide diphenyldiselenide: structure given in first source | 2.05 | 1 | 0 | ||
| spectinomycin Spectinomycin: An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of GONORRHEA.. spectinomycin dihydrochloride : A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.. spectinomycin : A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. | 2.21 | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
| decane decane : A straight-chain alkane with 10 carbon atoms. | 2.54 | 2 | 0 | alkane | |
| 2-allylphenol 2-allylphenol: structure given in first source. 2-allylphenol : A member of the class of phenols that is phenol carrying an allyl group at position 2. | 2.13 | 1 | 0 | phenols | antifungal agrochemical |
| cyclopropanecarboxylic acid cyclopropanecarboxylic acid: 0 | 2.46 | 2 | 0 | cyclopropanes; monocarboxylic acid | |
| popop [no description available] | 7.06 | 1 | 0 | 1,3-oxazoles | fluorochrome |
| stearylamine stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine. | 2.04 | 1 | 0 | primary aliphatic amine | film-forming compound |
| paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. | 7.54 | 2 | 0 | organic cation | geroprotector; herbicide |
| tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd | 4.64 | 8 | 0 | quaternary ammonium ion | |
| dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. | 2.48 | 2 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
| methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine . | 2.03 | 1 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
| meldrum's acid Meldrum's acid: structure given in first source | 2.74 | 3 | 0 | ||
| 4-chlorobiphenyl 4-chlorobiphenyl : A monochlorobiphenyl carrying a chloro substituent at position 4. | 2.03 | 1 | 0 | monochlorobiphenyl | |
| decyltrimethylammonium decyltrimethylammonium ion : A quarternary ammonium cation having one decyl and three methyl substituents around the central nitrogen. | 2.04 | 1 | 0 | quaternary ammonium ion | |
| allyl carbamate [no description available] | 2.13 | 1 | 0 | ||
| diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. | 4.57 | 1 | 1 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
| n-isopropylacrylamide N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands | 2.15 | 1 | 0 | ||
| octachloronaphthalene Perna: A genus of freshwater mussel in the family MYTILIDAE, class BIVALVIA. It is found in tropical and warm temperate coastal waters. Most species have green in their shells. | 2.15 | 1 | 0 | ||
| fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy. | 8 | 4 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
| fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position. | 2.69 | 3 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
| dodine dodine: RN given refers to parent cpd; structure. 1-dodecylguanidine acetate : An acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. | 2.13 | 1 | 0 | acetate salt; aliphatic nitrogen antifungal agent | antibacterial agent; antifungal agrochemical |
| cme-carbodiimide [no description available] | 2.02 | 1 | 0 | ||
| 3-(trimethoxysilyl)propyl methacrylate 3-(trimethoxysilyl)propyl methacrylate: structure in first source | 3.09 | 5 | 0 | ||
| hexadecanethiol [no description available] | 2.01 | 1 | 0 | ||
| allyl chloroformate [no description available] | 2.13 | 1 | 0 | ||
| ici resin fs3798 [no description available] | 2.71 | 3 | 0 | ||
| benzyl thiocyanate benzyl thiocyanate: increases activities of anhydrotetracycline oxygenase | 2.03 | 1 | 0 | thiocyanates | |
| stavudine Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase | 2 | 1 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| octachlorodibenzo-4-dioxin octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd | 2.03 | 1 | 0 | polychlorinated dibenzodioxine | |
| sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. | 2.25 | 1 | 0 | thujene | plant metabolite |
| mannose mannopyranose : The pyranose form of mannose. | 8.4 | 7 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
| dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 1.95 | 1 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
| 9-amino-6-chloro-2-methoxyacridine [no description available] | 2.06 | 1 | 0 | ||
| phenoxyacetic acid phenoxyacetic acid : A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. | 2.08 | 1 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
| ecdysone [no description available] | 6.95 | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
| streptomycin [no description available] | 2.98 | 3 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
| carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. | 7.5 | 91 | 0 | carbon oxoanion | |
| nitroxoline nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd. nitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. | 2.13 | 1 | 0 | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
| 2-octanol 2-octanol: RN given refers to cpd without isomeric designation. octan-2-ol : An octanol carrying the hydroxy group at position 2. | 2.05 | 1 | 0 | octanol; secondary alcohol | plant metabolite; volatile oil component |
| strombine N-methyliminodiacetic acid: structure in first source | 2.08 | 1 | 0 | ||
| 5-amino-1h-tetrazole [no description available] | 2.08 | 1 | 0 | ||
| tabersonine [no description available] | 2.03 | 1 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
| acetylthiocholine Acetylthiocholine: An agent used as a substrate in assays for cholinesterases, especially to discriminate among enzyme types. | 2.31 | 1 | 0 | ||
| 2,2'-diamino-1,1'-dinaphthyl 2,2'-diamino-1,1'-dinaphthyl: structure in first source | 2 | 1 | 0 | ||
| carbenicillin Carbenicillin: Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function.. carbenicillin : A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain. | 2.37 | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
| benoxaprofen 4-phenylcyclohexene: RN in Chemline for cpd without designation of unsaturation: 31017-40-0 | 2.05 | 1 | 0 | ||
| trioctylmethylammonium trioctylmethylammonium: used in high performance liquid chromatography for the separation of tRNA; RN given refers to chloride. methyltrioctylammonium : A quaternary ammonium ion with three octyl groups and one methyl group attached to the nitrogen. | 2.06 | 1 | 0 | quaternary ammonium ion | |
| 2-aminobenzyl alcohol 2-aminobenzyl alcohol: structure given in first source | 2.49 | 2 | 0 | ||
| iodinated glycerol iodinated glycerol: secretolytic agent; RN given refers to cpd without iodine locant | 2.1 | 1 | 0 | dioxolane | |
| 2-octynoic acid [no description available] | 2.05 | 1 | 0 | acetylenic fatty acid; monounsaturated fatty acid | |
| n-methylacridine N-methylacridine: RN given refers to acridinium parent cpd | 2.1 | 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. | 2.44 | 2 | 0 | cycloalkene; p-menthadiene | human metabolite |
| n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration. | 1.98 | 1 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
| ammonium nitrate ammonium nitrate: structure. ammonium nitrate : The ammonium salt of nitric acid. | 7.67 | 3 | 0 | ammonium salt; inorganic molecular entity; inorganic nitrate salt | explosive; fertilizer; oxidising agent |
| propargyl ether propargyl ether: structure in first source | 2.77 | 3 | 0 | ||
| 2,4,4'-trichlorobiphenyl [no description available] | 2.46 | 2 | 0 | ||
| tert-butyl isocyanide tert-butylisonitrile: structure in first source | 3.35 | 6 | 0 | ||
| hepes [no description available] | 7.02 | 1 | 0 | HEPES; organosulfonic acid | |
| iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 7.85 | 73 | 0 | cobalt group element atom; platinum group metal atom | |
| lanthanum [no description available] | 3.11 | 5 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
| manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 6.79 | 33 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
| mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero. | 7.7 | 65 | 0 | elemental mercury; zinc group element atom | neurotoxin |
| molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 7.05 | 42 | 0 | chromium group element atom | micronutrient |
| neptunium Neptunium: A radioactive element of the actinide metals family. It has the atomic symbol Np, and atomic number 93. | 1.94 | 1 | 0 | actinoid atom; f-block element atom | |
| neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications. | 4.1 | 3 | 1 | f-block element atom; lanthanoid atom | |
| neon Neon: A noble gas with the atomic symbol Ne, atomic number 10, and atomic weight 20.18. It is found in the earth's crust and atmosphere as an inert, odorless gas and is used in vacuum tubes and incandescent lamps. | 2.05 | 1 | 0 | monoatomic neon; noble gas atom; p-block element atom | |
| niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb. | 5.12 | 14 | 0 | vanadium group element atom | |
| osmium Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os. | 5.9 | 19 | 0 | iron group element atom; platinum group metal atom | |
| platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae. | 14.28 | 841 | 2 | elemental platinum; nickel group element atom; platinum group metal atom | |
| plutonium Plutonium: A naturally radioactive element of the actinide metals series. It has the atomic symbol Pu, and atomic number 94. Plutonium is used as a nuclear fuel, to produce radioisotopes for research, in radionuclide batteries for pacemakers, and as the agent of fission in nuclear weapons. | 2.87 | 4 | 0 | actinoid atom; f-block element atom | |
| praseodymium Praseodymium: An element of the rare earth family of metals. It has the atomic symbol Pr, atomic number 59, and atomic weight 140.91. | 2.11 | 1 | 0 | f-block element atom; lanthanoid atom | |
| promethium Promethium: A radioactive element of the rare earth family of metals. It has the atomic symbol Pm, and atomic number 61. It has been used in the construction of atomic batteries, in the preparation of self-luminous compounds, and as a beta-particle source for thickness gauges. | 3.04 | 1 | 0 | f-block element atom; lanthanoid atom | |
| protactinium Protactinium: A radioactive element of the actinide group of metals. It has the atomic symbol Pa, atomic number 91, and atomic weight 231. It decays by alpha-emission. | 2.47 | 2 | 0 | actinoid atom; f-block element atom | |
| rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re. | 10.57 | 22 | 0 | manganese group element 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. | 10.67 | 239 | 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. | 10.03 | 142 | 0 | iron group element atom; platinum group metal atom | |
| samarium Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors. | 6.7 | 10 | 1 | f-block element atom; lanthanoid atom | |
| scandium Scandium: An element of the rare earth family of metals. It has the atomic symbol Sc, atomic number 21, and atomic weight 45. | 7.69 | 3 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
| silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA. | 16.26 | 617 | 9 | copper group element atom; elemental silver | Escherichia coli metabolite |
| tantalum Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices. | 2.66 | 3 | 0 | vanadium group element atom | |
| technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years. | 3.75 | 3 | 0 | manganese group element atom | |
| terbium Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92. | 2.07 | 1 | 0 | f-block element atom; lanthanoid atom | |
| titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 13.01 | 208 | 8 | titanium group element atom | |
| tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus. | 5.39 | 19 | 0 | chromium group element atom | micronutrient |
| americium Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy. | 3.07 | 5 | 0 | actinoid atom; f-block element atom | |
| argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used. | 4.3 | 4 | 1 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
| arsine arsine: structure. arsine : Arsane (AsH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RAsH2, R2AsH, R3As (R =/= H) are called primary, secondary and tertiary arsines, respectively. A specific arsine is preferably named as a substituted arsane. | 8.01 | 4 | 0 | arsanes; arsine; mononuclear parent hydride | |
| cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 6.18 | 42 | 0 | cadmium molecular entity; zinc group element atom | |
| cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications. | 11.45 | 31 | 0 | f-block element atom; lanthanoid 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. | 8.75 | 78 | 2 | chromium group element atom; metal allergen | micronutrient |
| europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy. | 2.98 | 4 | 0 | f-block element atom; lanthanoid atom | |
| 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. | 15.55 | 589 | 3 | copper group element atom; elemental gold | |
| hafnium Hafnium: A metal element of atomic number 72 and atomic weight 178.49, symbol Hf. | 2.34 | 2 | 0 | titanium group element atom | |
| helium Helium: A noble gas with the atomic symbol He, atomic number 2, and atomic weight 4.003. It is a colorless, odorless, tasteless gas that is not combustible and does not support combustion. It was first detected in the sun and is now obtained from natural gas. Medically it is used as a diluent for other gases, being especially useful with oxygen in the treatment of certain cases of respiratory obstruction, and as a vehicle for general anesthetics. | 2.46 | 2 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
| holmium Holmium: An element of the rare earth family of metals. It has the atomic symbol Ho, atomic number 67, and atomic weight 164.93. | 6.97 | 1 | 0 | f-block element atom; lanthanoid atom | |
| uranium Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors. | 3.35 | 7 | 0 | actinoid atom; f-block element atom; monoatomic uranium | |
| vanadium Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs. | 4.01 | 14 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
| xenon Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic. | 8.75 | 3 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
| ytterbium Ytterbium: An element of the rare earth family of metals. It has the atomic symbol Yb, atomic number 70, and atomic weight 173. Ytterbium has been used in lasers and as a portable x-ray source. | 4.48 | 7 | 0 | f-block element atom; lanthanoid atom | |
| yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers. | 10.81 | 8 | 1 | d-block element atom; rare earth metal atom; scandium group element atom | |
| zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr. | 10.15 | 75 | 2 | titanium group element atom | |
| aluminum chloride Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS. | 2.4 | 2 | 0 | aluminium coordination entity | Lewis acid |
| cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state. | 4.07 | 14 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
| mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed. | 8.26 | 6 | 0 | mercury coordination entity | sensitiser |
| acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. | 2.04 | 1 | 0 | N-acetyl-D-glucosamine | epitope |
| galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine. | 2.05 | 1 | 0 | D-galactosamine; primary amino compound | toxin |
| palladium chloride palladium chloride: RN given refers to parent cpd; structure. palladium(II) chloride : A palladium coordination entity consisting of palladium(II) bound to two chlorine atoms. | 9.45 | 166 | 1 | palladium coordination entity | catalyst |
| cesium chloride cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions. | 2.06 | 1 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
| hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. | 2.43 | 2 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
| camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 7.42 | 2 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
| ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents | 2.94 | 4 | 0 | iron coordination entity | astringent; Lewis acid |
| nickel chloride nickel chloride: RN given refers to cpd with MF of Ni-Cl2. nickel dichloride : A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2. | 2.42 | 2 | 0 | nickel coordination entity | calcium channel blocker; hapten |
| phosphine phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane. | 8.3 | 112 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
| bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested. | 4.9 | 34 | 0 | diatomic bromine | |
| barium sulfate Barium Sulfate: A compound used as an x-ray contrast medium that occurs in nature as the mineral barite. It is also used in various manufacturing applications and mixed into heavy concrete to serve as a radiation shield.. barium sulfate : A metal sulfate with formula BaO4S. Virtually insoluble in water at room temperature, it is mostly used as a component in oil well drilling fluid it occurs naturally as the mineral barite. | 2.94 | 4 | 0 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
| zinc sulfate Zinc Sulfate: A compound given in the treatment of conditions associated with zinc deficiency such as acrodermatitis enteropathica. Externally, zinc sulfate is used as an astringent in lotions and eye drops. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1995). zinc sulfate : A metal sulfate compound having zinc(2+) as the counterion. | 2.13 | 1 | 0 | metal sulfate; zinc molecular entity | fertilizer |
| sodium sulfite [no description available] | 1.97 | 1 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
| tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues. | 3.53 | 2 | 0 | calcium phosphate | |
| ferrous chloride ferrous chloride: induces convulsions; RN given refers to parent cpd | 2.07 | 1 | 0 | iron coordination entity | |
| lead chloride lead chloride: RN in 9th CI Form Index for cotunnite: 14639-87-3; RN given refers to cpd with MF of Pb-Cl2. lead(II) chloride : An inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom. | 2.01 | 1 | 0 | inorganic chloride; lead coordination entity | |
| chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid. | 2.96 | 4 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
| copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion. | 2.96 | 4 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
| silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM. | 2.96 | 4 | 0 | inorganic nitrate salt; silver salt | astringent |
| dihydrocarvone dihydrocarvone: found in caraway oil; structure in first source. dihydrocarvone : A dihydrocarvone resulting from reduction of the endocyclic cyclohexene double bond. | 2.17 | 1 | 0 | dihydrocarvones | plant metabolite |
| sodium thiosulfate sodium thiosulfate: do not confuse synonym sodium hyposulfite with sodium hyposulfite, synonym for di-Na salt of dithionous acid. sodium thiosulfate : An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio. | 2.1 | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
| calcium sulfate Calcium Sulfate: A calcium salt that is used for a variety of purposes including: building materials, as a desiccant, in dentistry as an impression material, cast, or die, and in medicine for immobilizing casts and as a tablet excipient. It exists in various forms and states of hydration. Plaster of Paris is a mixture of powdered and heat-treated gypsum. | 2.73 | 3 | 0 | calcium salt; inorganic calcium salt | |
| potassium dichromate Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison.. potassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid. | 3.27 | 6 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
| zinc nitrate [no description available] | 2.42 | 2 | 0 | ||
| zinc phosphate zinc phosphate: RN given refers to unspecified Zn salt; see also record for ZINC PHOSPHATE CEMENT RN 7779-90-0; hopeite was non-print entry term to ZINC PHOSPHATE CEMENT 1982-91 | 5.34 | 13 | 1 | ||
| deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 6.76 | 44 | 0 | dihydrogen | |
| fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 7.7 | 61 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
| chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 5.8 | 84 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
| nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed) | 2 | 1 | 0 | nitrogen oxoacid | |
| magnesium fluoride [no description available] | 2.13 | 1 | 0 | ||
| ferric fluoride [no description available] | 2.08 | 1 | 0 | ||
| silver chloride [no description available] | 3.13 | 5 | 0 | inorganic chloride; silver salt | |
| silver perchlorate [no description available] | 2.02 | 1 | 0 | ||
| silver iodide silver iodide: RN given refers to silver iodide [1:1] | 2.02 | 1 | 0 | ||
| nickel sulfate nickel sulfate: RN given refers to cpd with MF of Ni(2+)-H2SO4. nickel sulfate : A metal sulfate having nickel(2+) as the metal ion. | 6.49 | 24 | 2 | metal sulfate | allergen |
| beryllium chloride beryllium chloride: RN given refers to BeCl2. beryllium dichloride : A compound of beryllium (+2 oxidation state) and chloride in the ratio 1:2. | 1.96 | 1 | 0 | beryllium molecular entity; inorganic chloride | carcinogenic agent; genotoxin |
| bismuth trichloride [no description available] | 2.1 | 1 | 0 | ||
| potassium chromate(vi) potassium chromate(VI): RN given refers to cpd with MF of K2-CrH2O4. potassium chromate : A potassium salt consisting of potassium and chromate ions in a 2:1 ratio. | 2.04 | 1 | 0 | potassium salt | carcinogenic agent; oxidising agent |
| deuterium oxide Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes. | 3.54 | 8 | 0 | deuterated compound; water | NMR solvent |
| fluorosulfonic acid perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer | 3.44 | 7 | 0 | sulfur oxoacid | NMR solvent |
| cupric bromide [no description available] | 2.46 | 2 | 0 | ||
| chlorosulfonic acid [no description available] | 2.05 | 1 | 0 | ||
| sulfonyl chloride [no description available] | 2.77 | 3 | 0 | sulfuryl halide | |
| calcium lignosulfonate [no description available] | 2.25 | 1 | 0 | ||
| galactose aldohexose : A hexose with a (potential) aldehyde group at one end. | 2.93 | 4 | 0 | ||
| barium nitrate barium nitrate: RN given refers to parent cpd. barium nitrate : An inorganic nitrate salt of barium. | 3.37 | 1 | 1 | inorganic barium salt; inorganic nitrate salt | |
| ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 3.83 | 11 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
| palladium nitrate [no description available] | 5.03 | 9 | 1 | ||
| sodium selenite disodium selenite : An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio. | 2.05 | 1 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
| cadmium chloride Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding. | 1.96 | 1 | 0 | cadmium coordination entity | |
| cobalt sulfate cobalt sulfate: RN given refers to parent cpd. cobalt(2+) sulfate : A compound of cobalt and sulfate in which the ratio of cobalt (+2 oxidation state) to sulfate is 1:1. | 2.42 | 2 | 0 | metal sulfate | |
| 4-chloro-7-nitrobenzofurazan 4-Chloro-7-nitrobenzofurazan: A benzofuran derivative used as a protein reagent since the terminal N-NBD-protein conjugate possesses interesting fluorescence and spectral properties. It has also been used as a covalent inhibitor of both beef heart mitochondrial ATPase and bacterial ATPase.. 4-chloro-7-nitrobenzofurazan : A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group. | 2.13 | 1 | 0 | benzoxadiazole; C-nitro compound; organochlorine compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome |
| magnesium nitrate magnesium nitrate : The inorganic nitrate salt of magnesium. | 4.64 | 6 | 1 | inorganic nitrate salt; magnesium salt | fertilizer |
| rhamnose [no description available] | 2.76 | 3 | 0 | L-rhamnose | |
| carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. | 7.31 | 1 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
| chrysotile Asbestos, Serpentine: A type of asbestos that occurs in nature as the dihydrate of magnesium silicate. It exists in two forms: antigorite, a plated variety, and chrysotile, a fibrous variety. The latter makes up 95% of all asbestos products. (From Merck Index, 11th ed, p.893) | 2.05 | 1 | 0 | ||
| ammonium fluoride ammonium fluoride : A fluoride salt having ammonium (NH4+) as the counterion. | 7.05 | 1 | 0 | ammonium salt; fluoride salt | |
| 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. | 2.74 | 3 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
| nickel nitrate nickel nitrate: RN given refers to cpd with MF of Ni-(HNO3)2 | 2.02 | 1 | 0 | ||
| cesium fluoride cesium fluoride: RN given refers to above cpd | 2.44 | 2 | 0 | ||
| gallium chloride gallium chloride: RN given refers to parent cpd | 1.99 | 1 | 0 | ||
| platinum tetrachloride platinum tetrachloride: see also platinum chloride | 2.1 | 1 | 0 | ||
| titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. | 12.04 | 71 | 1 | titanium oxides | food colouring |
| sodium tungstate(vi) sodium tungstate(VI): inactivates molybdoenzymes in Anabaena; RN given refers to tungstic acid [H2WO4], di-Na salt. sodium tungstate : An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones. | 2.31 | 1 | 0 | inorganic sodium salt | reagent |
| salen disalicylaldehyde ethylenediamine: reagents for determination of iron | 8.39 | 6 | 0 | ||
| tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 5.91 | 30 | 0 | ||
| trimethylolpropane triacrylate trimethylolpropane triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis | 2 | 1 | 0 | carbonyl compound | |
| tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. | 2.25 | 1 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
| potassium metabisulfite potassium metabisulfite: RN given refers to cpd with MF of K2-H2O5S2; request from searcher; structure | 7.11 | 1 | 0 | ||
| fluoroboric acid [no description available] | 2.99 | 4 | 0 | boron fluoride | |
| gold tetrachloride, acid gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1) | 2.47 | 2 | 0 | ||
| fluorides [no description available] | 7.47 | 49 | 0 | halide anion; monoatomic fluorine | |
| 18-crown-6 18-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. | 2.06 | 1 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
| stannic oxide tin dioxide : A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms. | 4.12 | 15 | 0 | tin oxide | |
| chromium chromium hexavalent ion: a human respiratory carcinogen | 5.71 | 23 | 0 | chromium cation; monoatomic hexacation | |
| mecysteine mecysteine: RN given refers to parent cpd(L)-isomer. methyl L-cysteinate : An L-cysteinyl ester resulting from the formal condensation of the carboxylic acid group of L-cysteine with methanol. It is used (as the hydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough. | 2.04 | 1 | 0 | L-cysteinyl ester; primary amino compound; thiol | mucolytic |
| 1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2 | 1 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
| calcium dobesilate Calcium Dobesilate: A drug used to reduce hemorrhage in diabetic retinopathy. | 2.05 | 1 | 0 | ||
| iodine [no description available] | 7.83 | 126 | 0 | halide anion; monoatomic iodine | human metabolite |
| osmium tetroxide Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. | 2.92 | 4 | 0 | osmium coordination entity | fixative; histological dye; oxidising agent; poison |
| daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola. | 2.4 | 2 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
| 2,6-diaminopurine 9H-purine-2,6-diamine : A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. | 2.05 | 1 | 0 | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
| tri-n-butylborane [no description available] | 7.96 | 4 | 0 | ||
| 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. | 8.05 | 116 | 0 | benzenes; phenyl acetates | |
| cetylpyridinium chloride anhydrous tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent. cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. | 2.06 | 1 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
| methylformamide N-methylformamide : A member of the class of formamides having a N-methyl substituent. | 2.07 | 1 | 0 | formamides | |
| acetylacetone acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | 8.19 | 5 | 0 | beta-diketone | |
| pyrrolidine [no description available] | 3.77 | 10 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
| butyl acetate butyl acetate: structure. butyl acetate : The acetate ester of butanol. | 7.44 | 2 | 0 | acetate ester | metabolite |
| 1,4-dioxane 1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4. | 8.44 | 7 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
| chloroprene Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.07 | 1 | 0 | chloroolefin | |
| tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 2.72 | 3 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
| dimethylacetamide hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. | 2.46 | 2 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
| n-chlorosuccinimide N-chlorosuccinimide : A five-membered cyclic dicarboximide compound having a chloro substituent on the nitrogen atom. | 2.03 | 1 | 0 | dicarboximide; pyrrolidinone | |
| butylated hydroxytoluene 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | 2.11 | 1 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
| 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. | 8.47 | 7 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
| benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. | 2.05 | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
| transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states. | 8.71 | 2 | 0 | ||
| aluminum oxide hydroxide aluminum oxide hydroxide: RN given refers to Al2O3.xH2O | 2.06 | 1 | 0 | aluminium hydroxides; aluminium oxides | |
| 3-butenoic acid but-3-enoic acid : That isomer of butenoic acid having the double bond at position C-3. | 2.84 | 3 | 0 | butenoic acid | |
| alkenes [no description available] | 12.18 | 760 | 0 | ||
| glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 3.45 | 7 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
| glucaric acid Glucaric Acid: A sugar acid derived from D-glucose in which both the aldehydic carbon atom and the carbon atom bearing the primary hydroxyl group are oxidized to carboxylic acid groups.. D-glucaric acid : The D-enantiomer of glucaric acid.. glucaric acid : A hexaric acid derived by oxidation of sugar such as glucose with nitric acid. | 3.31 | 1 | 0 | glucaric acid | antineoplastic agent |
| cefazolin Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.. cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively. | 2.07 | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
| sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 2.44 | 2 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
| azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 6.43 | 30 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. | 3.85 | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
| timolol (S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. | 2.01 | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
| tramadol Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating.. tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia.. (R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. | 2.13 | 1 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
| vanadyl sulfate [no description available] | 1.96 | 1 | 0 | metal sulfate; vanadium coordination entity | |
| oxcarbazepine Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4.. oxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. | 7.02 | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
| altenuene altenuene: metabolite of Alternaria; structure given in first source. altenuene : A benzochromenone mycotoxin isolated from the fungus Allernaria tenuis. | 2.05 | 1 | 0 | ||
| zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. | 7.44 | 2 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
| 1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | 2.05 | 1 | 0 | polychlorinated dibenzodioxine | |
| pcb 118 [no description available] | 2.03 | 1 | 0 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | |
| sisomicin Sisomicin: Antibiotic produced by Micromonospora inyoensis. It is closely related to gentamicin C1A, one of the components of the gentamicin complex (GENTAMICINS). | 2.06 | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
| 3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. | 2.04 | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
| paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 3.85 | 10 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
| kc 400 KC 400: mixture of polychlorinated biphenyls. 3,3',5,5'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5. | 2.11 | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
| etoposide [no description available] | 2.48 | 2 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
| ribavirin Rebetron: Rebetron is tradename | 2.01 | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| lentinan [no description available] | 2.11 | 1 | 0 | ||
| phorbol 12,13-dibutyrate Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems. | 1.99 | 1 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
| 2,4,5,2',5'-pentachlorobiphenyl [no description available] | 2.45 | 2 | 0 | ||
| pendimethalin pendimethalin : A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. | 2.21 | 1 | 0 | C-nitro compound; secondary amino compound; substituted aniline | agrochemical; environmental contaminant; herbicide |
| methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. | 2.21 | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
| diltiazem Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. | 2.01 | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
| 2,2',3,5,5',6-hexachlorobiphenyl [no description available] | 2.05 | 1 | 0 | ||
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available] | 2.04 | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
| desogestrel Desogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED). | 2.04 | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
| 3,3',5,5'-tetramethylbenzidine T1023: radioprotective NO-Synthase Inhibitor | 4.45 | 18 | 0 | ||
| sufentanil Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.. sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid. | 2.05 | 1 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
| indacrinone indacrinone: polyvalent saluretic; RN given refers to parent cpd without isomeric designation; structure | 2.73 | 3 | 0 | ||
| enkephalin, methionine Enkephalin, Methionine: One of the endogenous pentapeptides with morphine-like activity. It differs from LEU-ENKEPHALIN by the amino acid METHIONINE in position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN. | 2.01 | 1 | 0 | ||
| nitroacetic acid nitroacetic acid: inhibits succinate dehydrogenase; RN given refers to parent cpd | 2.74 | 3 | 0 | ||
| paroxetine Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. | 2.49 | 2 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
| captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. | 7.39 | 2 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| arsenobetaine [no description available] | 2.49 | 2 | 0 | organic salt | |
| triflumuron triflumuron: insect growth inhibitor | 2.07 | 1 | 0 | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
| colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | 2.6 | 1 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
| 4-methacryloxyethyltrimellitic acid anhydride 4-methacryloxyethyltrimellitic acid anhydride: monomer used in 4-META resin; which is used as dental resin; structure given in first source; Cover-Up II is a 4-META bases bonding agent | 3.59 | 9 | 0 | ||
| swainsonine Swainsonine: An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity.. swainsonine : An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. | 2.47 | 2 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
| 1-methylpiperazine 1-methylpiperazine: RN given refers to parent cpd | 2.01 | 1 | 0 | N-methylpiperazine | |
| 2-amino-3-methylimidazo(4,5-f)quinoline 2-amino-3-methylimidazo(4,5-f)quinoline: mutagen found in broiled food; RN given refers to parent cpd; structure given in first source; frequently abbreviated as IQ in the literature. 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine : An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2. | 2.42 | 2 | 0 | imidazoquinoline | carcinogenic agent |
| piritrexim piritrexim: RN given refers to parent cpd; structure given in first source | 7.42 | 2 | 0 | ||
| castanospermine castanospermine: indolizidine alkaloid from seeds of Australian legume, Castanospermum australe. castanospermine : A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). | 2.1 | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
| methyl bensulfuron methyl bensulfuron: RN given refers to parent cpds. bensulfuron-methyl : The methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK. | 2.07 | 1 | 0 | aromatic ether; methyl ester; N-sulfonylurea; pyrimidines | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
| ractopamine ractopamine: veterinary growth stimulant. ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.. 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group. | 7.58 | 2 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
| finasteride Finasteride: An orally active 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE inhibitor. It is used as a surgical alternative for treatment of benign PROSTATIC HYPERPLASIA.. finasteride : An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. | 4.73 | 2 | 1 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
| imiquimod Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis. | 2.41 | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
| n 0437, (-)-isomer rotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designation | 3.31 | 1 | 0 | tetralins | |
| tenidap tenidap: structure given in first source; RN refers to (Z)-isomer | 2.1 | 1 | 0 | ||
| gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | 7.43 | 2 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
| valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity. | 2.25 | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
| adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 3.9 | 12 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
| n,n-diethylethylenediamine N,N-diethylethylenediamine: structure in first source | 2.06 | 1 | 0 | ||
| n-butyllithium [no description available] | 2.75 | 3 | 0 | ||
| myrtenal myrtenal: RN refers to cpd without isomeric designation; structure given in first source | 2.31 | 1 | 0 | ||
| 4-pentenoic acid 4-pentenoic acid: inhibitor of fatty acid oxidation; RN given refers to parent cpd. pent-4-enoic acid : A pentenoic acid having the double bond at position 4. | 2.57 | 2 | 0 | pentenoic acid | |
| trichloroacetamide [no description available] | 3.55 | 8 | 0 | ||
| cuprous thiocyanate [no description available] | 2.08 | 1 | 0 | ||
| ferric citrate ferric citrate: RN given refers to Fe(+3)[1:1] salt. iron(III) citrate : An iron chelate resulting from the combination of iron(3+) and citrate(3-). | 2.11 | 1 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
| monoammonium molybdate ammonium molybdate: RN given refers to unspecified ammonium molybdate salt. ammonium molybdate : An ammonium salt composed of ammonium and molybdate ions in a 2:1 ratio. | 2.03 | 1 | 0 | ammonium salt | poison |
| vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms. | 3.92 | 3 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
| florisil Florisil: hard, porous, granular substance used in vitamin analysis, chromatography, & antibiotic processing | 2.31 | 1 | 0 | ||
| ruthenium chloride (rucl3) ruthenium chloride: RN given refers to unlabeled cpd | 2.43 | 2 | 0 | ||
| edda EDDA: RN given refers to parent cpd. ethylenediaminediacetic acid : An ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. | 7.05 | 1 | 0 | amino dicarboxylic acid; ethylenediamine derivative; glycine derivative; polyamino carboxylic acid | bacterial xenobiotic metabolite; chelator |
| 1,3-pentadiene 1,3-pentadiene: a linear 5-carbon alkene; RN given refers to cpd with unspecified isomeric designation. (E)-1,3-pentadiene : An alkadiene consisting of pentane with the two double bonds located at positions 1 and 3. | 2.07 | 1 | 0 | alkadiene | |
| diethyl tartrate diethyl tartrate: RN given refers to R-(R*,R*)-isomer; RN for cpd without isomeric designation not avail 7/90 | 2.02 | 1 | 0 | 3-hydroxy carboxylic acid | |
| acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination. | 1.97 | 1 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
| glycoluril glycoluril: a compound made of two 2-imidazolidinone fused at the 4 and 5 positions | 2.01 | 1 | 0 | azabicycloalkane; ureas | |
| 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. | 6.1 | 37 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
| 4-vinylphenol 4-vinylphenol: RN given refers to cpd with locants as specified. 4-hydroxystyrene : A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4. | 2.03 | 1 | 0 | phenols | human urinary metabolite; human xenobiotic metabolite |
| titanium trichloride [no description available] | 2.02 | 1 | 0 | ||
| cuprous chloride cuprous chloride: RN given refers to unlabeled cpd. copper(I) chloride : An inorganic chloride of copper in which the metal is in the +1 oxidation state. | 2.73 | 3 | 0 | copper molecular entity; inorganic chloride | agrochemical; molluscicide |
| sodium persulfate sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt | 7.05 | 1 | 0 | ||
| potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid. | 2.5 | 2 | 0 | inorganic phosphate salt; inorganic potassium salt | |
| 2-butene 2-butene: RN given refers to cpd without isomeric designation | 2.46 | 2 | 0 | but-2-ene | |
| octyl glucoside octyl-beta-D-glucoside: RN given refers to (beta)-isomer. octyl beta-D-glucopyranoside : An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. | 2.25 | 1 | 0 | beta-D-glucoside | plant metabolite |
| trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride. | 3.11 | 5 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
| febrifugine febrifugine: antimalarials; structure | 2.13 | 1 | 0 | quinazolines | |
| 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. | 3.23 | 5 | 0 | D-glucopyranose | epitope; mouse metabolite |
| dihydrochalcone dihydrochalcone : A member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. | 7.55 | 2 | 0 | dihydrochalcones | plant metabolite |
| xanthosine [no description available] | 2.03 | 1 | 0 | purines D-ribonucleoside; xanthosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
| cyclen cyclen: macrocyclic polyamine metal-complexing agent. 1,4,7,10-tetraazacyclododecane : An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. | 2.06 | 1 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
| cyclam cyclam: RN given refers to parent cpd; structure given in first source | 2.02 | 1 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
| thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. | 2.71 | 3 | 0 | organic bromide salt | colorimetric reagent; dye |
| betulinic acid [no description available] | 2.25 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
| tsao-t [no description available] | 2.01 | 1 | 0 | ||
| oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. | 2.46 | 2 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
| 5-methylcytosine 5-Methylcytosine: A methylated nucleotide base found in eukaryotic DNA. In ANIMALS, the DNA METHYLATION of CYTOSINE to form 5-methylcytosine is found primarily in the palindromic sequence CpG. In PLANTS, the methylated sequence is CpNpGp, where N can be any base.. 5-methylcytosine : A pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. | 2.06 | 1 | 0 | methylcytosine; pyrimidines | human metabolite |
| thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS. | 2.13 | 1 | 0 | ||
| diacetylfluorescein [no description available] | 1.97 | 1 | 0 | ||
| epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 10.28 | 3 | 1 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
| alpha-terthienyl [no description available] | 2.05 | 1 | 0 | terthiophene | |
| 4-(2-pyridylazo)resorcinol 4-(2-pyridylazo)resorcinol: RN given refers to parent cpd | 2.03 | 1 | 0 | ||
| fluorexon fluorexon: structure | 1.99 | 1 | 0 | xanthene dye | fluorochrome |
| 2,4-diaminoquinazoline [no description available] | 2 | 1 | 0 | ||
| norvaline norvaline: differs from valine in being 1 carbon longer instead of branched; RN given refers to (L)-isomer; structure. L-2-aminopentanoic acid : A 2-aminopentanoic acid that has S-configuration. | 2.08 | 1 | 0 | 2-aminopentanoic acid; L-alpha-amino acid zwitterion | bacterial metabolite; hypoglycemic agent; neuroprotective agent |
| phenylalanylphenylalanine phenylalanylphenylalanine: RN given refers to (L,L)-isomer | 2.06 | 1 | 0 | ||
| chlorin chlorin: RN given refers to parent cpd; structure. chlorin : A tetrapyrrole fundamental parent that is obtained by formal hydrogenation across the 2,3-double bond of porphyrin. | 3.13 | 5 | 0 | ||
| phosphoramidic acid phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds | 2.6 | 1 | 0 | phosphoric acid derivative | |
| 1,2,4-triazole-3-carboxamide 1,2,4-triazole-3-carboxamide : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. | 2.01 | 1 | 0 | aromatic amide; monocarboxylic acid amide; primary carboxamide; triazoles | drug metabolite; human urinary metabolite |
| bathocuproine bathocuproine: reagent for copper; RN given refers to parent cpd | 2.02 | 1 | 0 | ||
| nile red nile red : An organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group. | 7.77 | 3 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
| lissamine rhodamine b lissamine rhodamine B: RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt | 2.21 | 1 | 0 | ||
| neocuproine neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd. neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. | 2.46 | 2 | 0 | phenanthrolines | chelator; copper chelator |
| aristeromycin aristeromycin: RN given refers to (1R-(1alpha,2alpha,3beta,5alpha)-isomer | 2.06 | 1 | 0 | ||
| pyrrolidine dithiocarbamate pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd. pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine. | 2.05 | 1 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
| glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. | 7.02 | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
| triptonide triptonide: extracted from Tripterygium wilfordii; structure given in first source. triptonide : A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. | 2.1 | 1 | 0 | butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound | anti-inflammatory agent; antineoplastic agent; immunosuppressive agent |
| cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. | 2.71 | 3 | 0 | cephalosporin | fungal metabolite |
| naphthosultone naphthosultone: derivatives of 1,8-naphtholsulfonic acid | 2.51 | 2 | 0 | ||
| satigrel Satigrel: structure given in first source | 2.25 | 1 | 0 | ||
| abecarnil [no description available] | 2.01 | 1 | 0 | ||
| bergenin bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure | 2.01 | 1 | 0 | trihydroxybenzoic acid | metabolite |
| boron nitride [no description available] | 7.53 | 2 | 0 | nitride | |
| zinc iodide zinc iodide: used with osmium in stains; RN given refers to parent cpd | 2.25 | 1 | 0 | ||
| iridium radioisotopes Iridium Radioisotopes: Unstable isotopes of iridium that decay or disintegrate emitting radiation. Ir atoms with atomic weights 182-190, 192, and 194-198 are radioactive iridium isotopes. | 9.15 | 29 | 2 | ||
| 1,1,3,3-tetramethylguanidine [no description available] | 2.06 | 1 | 0 | ||
| naphthalimides Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS. | 3.52 | 7 | 0 | ||
| anthraquinone-2,6-disulfonate anthraquinone-2,6-disulfonate: structure in first source. anthraquinone-2,6-disulfonic acid : A member of the class of anthraquinones that is 9,10-anthraquinone substituted at positions 2 and 6 by sulfo groups. | 3.02 | 4 | 0 | anthraquinone; arenesulfonic acid | |
| salicylhydroxamic acid [no description available] | 7.01 | 1 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
| benzeneboronic acid [no description available] | 4.85 | 31 | 0 | boronic acids | |
| porphine porphine: structure given in first source | 2.49 | 2 | 0 | ||
| isocytosine 2-amino-4-hydroxypyrimidine : An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively. | 2.75 | 3 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | |
| 4-(diethylamino)benzaldehyde 4-(diethylamino)benzaldehyde : A member of the class of benzaldehydes carrying a diethylamino substituent at position 4. | 2.03 | 1 | 0 | aromatic amine; benzaldehydes; tertiary amino compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| acetoxime [no description available] | 2.11 | 1 | 0 | ketoxime | |
| phenoxazine phenoxazine: RN given refers to 10H-phenoxazine. 10H-phenoxazine : A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. | 7.05 | 1 | 0 | phenoxazine | ferroptosis inhibitor; radical scavenger |
| 2,4-diaminopyrimidine 2,6-diaminopyrimidine: structure in first source. pyrimidine-2,4-diamine : An aminopyrimidine in which a pyrimidine nucleus is substituted with amino groups at C-2 and C-4. | 2.11 | 1 | 0 | aminopyrimidine | |
| 1,7-phenanthroline [no description available] | 6.15 | 40 | 0 | phenanthroline | |
| alpha-carboline alpha-carboline: RN given refers to unlabeled cpd; structure given in first source | 2.49 | 2 | 0 | pyridoindole | |
| 1h-imidazo(4,5-b)pyridine 1H-imidazo(4,5-b)pyridine: structure given in first source. 4-azabenzimidazole : The [4,5-b]-fused isomer of imidazopyridine. | 2.07 | 1 | 0 | imidazopyridine | |
| benzo-1,2,3-thiadiazole [no description available] | 3.93 | 3 | 0 | ||
| bicyclo(3.1.0)hexane [no description available] | 2.48 | 2 | 0 | ||
| triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 8.15 | 72 | 1 | 1,2,3-triazole | |
| 1h-tetrazole tetrazole : An azaarene that is a five-membered ring composed of 4 nitrogen and 1 carbon atom.. 2H-tetrazole : A tetrazole tautomer where the proton is located on the 2 position. | 2.52 | 2 | 0 | one-carbon compound; tetrazole | |
| 1,2,4-triazine [no description available] | 2.11 | 1 | 0 | 1,2,4-triazines; triazine | |
| trifluoroacetanilide [no description available] | 7.48 | 2 | 0 | ||
| formamidine formamidine: RN given refers to parent compound. formamidine : The smallest member of the class of carboxamidines being formic acid with the O and OH groups from the carboxy function replaced by NH and NH2 groups respectively. The parent of the class of formamidines. | 7.13 | 1 | 0 | carboxamidine; formamidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| isocoumarins Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. | 4 | 12 | 0 | isocoumarins | |
| 2-imidazoline 2-imidazoline: RN given refers to parent cpd; structure. imidazoline : An imidazoline compound having the double bond at the 2-position. | 7.07 | 1 | 0 | imidazolines | |
| rubrene [no description available] | 2.13 | 1 | 0 | ||
| duroquinone tetramethyl-1,4-benzoquinone: structure in first source. duroquinone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups. | 2.41 | 1 | 0 | 1,4-benzoquinones | |
| delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. | 2.01 | 1 | 0 | anthocyanidin chloride | |
| 2-aminobenzaldehyde 2-aminobenzaldehyde: structure | 2.13 | 1 | 0 | ||
| beta-tetralone [no description available] | 2.01 | 1 | 0 | ||
| alpha-methylene gamma-butyrolactone alpha-methylene gamma-butyrolactone : A butan-4-olide having a methylene group at the 3-position. | 2.78 | 3 | 0 | butan-4-olide | anti-ulcer drug; gastrointestinal drug |
| nebularine nebularine: structure. nebularine : A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. | 2.07 | 1 | 0 | purine ribonucleoside; purines D-ribonucleoside | fungal metabolite |
| 4-aminoquinoline [no description available] | 7.11 | 1 | 0 | ||
| toltrazuril toltrazuril: structure in first source | 2.06 | 1 | 0 | aromatic ether | |
| fluorodeoxyglucose f18 Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162) | 2.06 | 1 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
| sertraline Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. | 2.51 | 2 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
| artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | 2.57 | 2 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
| vinyl iodide [no description available] | 8.01 | 4 | 0 | monohaloethene | |
| glycolamide [no description available] | 7.06 | 1 | 0 | acetamides | |
| 1,2-bis(phenylsulfonyl)ethane [no description available] | 7.06 | 1 | 0 | ||
| 2,5-dihydroxy-1,4-benzoquinone 2,5-dihydroxy-1,4-benzoquinone: structure in first source | 2.17 | 1 | 0 | ||
| 1,2,3,4-tetrahydroquinoline 1,2,3,4-tetrahydroquinoline: structure in first source. 1,2,3,4-tetrahydroquinoline : A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline. | 3.37 | 6 | 0 | quinolines | |
| resorufin [no description available] | 2.13 | 1 | 0 | phenoxazine | |
| phenylpropiolic acid phenylpropiolic acid: structure. phenylpropiolic acid : An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. | 2.48 | 2 | 0 | acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes | |
| benzocyclobutene benzocyclobutene : A carbobicyclic compound that is benzene fused to a cyclobutane ring. | 3.18 | 5 | 0 | carbobicyclic compound | metabolite |
| 9-methyladenine 9-methyladenine : Adenine substituted with a methyl group at position N-9. | 2.47 | 2 | 0 | methyladenine | metabolite |
| pentafluoropyridine [no description available] | 7.03 | 1 | 0 | ||
| cyclopropylamine cyclopropylamine: RN given refers to parent cpd. cyclopropylamine : A primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. | 7.13 | 1 | 0 | primary aliphatic amine | mouse metabolite |
| 1,3-dimethylbarbituric acid [no description available] | 2.03 | 1 | 0 | ||
| indole-3-carboxylic acid indole-3-carboxylic acid : An indole-3-carboxylic acid carrying a carboxy group at position 3. | 2.03 | 1 | 0 | indol-3-yl carboxylic acid | bacterial metabolite; human metabolite |
| 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available] | 2.15 | 1 | 0 | 1,2,4-triazines | |
| 2-(2'-pyridyl)benzimidazole 2-(2'-pyridyl)benzimidazole: structure in first source | 7.06 | 1 | 0 | ||
| 2,2',2''-terpyridine 2,2',2''-terpyridine: RN given refers to parent cpd. 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings. | 2.05 | 1 | 0 | terpyridines | chelator |
| 2,3-dihydrofuran dihydrofuran : Compounds containing a mono-unsaturated furan ring skeleton. | 3.16 | 5 | 0 | dihydrofuran | |
| 1,2-benzisoxazole 1,2-benzisoxazole: structure in first source. 1,2-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5.. benzisoxazole : Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton. | 2.08 | 1 | 0 | 1,2-benzoxazoles; mancude organic heterobicyclic parent | |
| denaverine denaverine: RN given refers to parent cpd; structure | 2.08 | 1 | 0 | diarylmethane | |
| uk 68798 [no description available] | 2.06 | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
| carazolol carazolol: RN given refers to parent cpd without isomeric designation; structure | 2.13 | 1 | 0 | carbazoles | |
| bay h 2049 batracylin: structure given in first source | 2.1 | 1 | 0 | ||
| siccanin siccanin: structure | 2.71 | 3 | 0 | organic heteropentacyclic compound | antifungal drug; fungal metabolite |
| cyclarbamate cyclarbamate: structure | 2.03 | 1 | 0 | carbamate ester | |
| 6-hydroxyflavone 6-hydroxyflavone: antioxidant; structure in first source | 2.11 | 1 | 0 | hydroxyflavonoid | |
| narciclasine narciclasine: antitumor alkaloid from bulbs of Narcissus species | 2.05 | 1 | 0 | phenanthridines | metabolite |
| mesoporphyrin ix mesoporphyrin IX: RN given refers to parent cpd; mesoheme is the iron salt of mesoporphyrin IX. mesoporphyrin IX : A member of the class of mesoporphyrins obtained by formal hydrogenation of the two vinyl groups in protoporphyrin. | 2.71 | 3 | 0 | ||
| daphnodorin b daphnodorin B: structure given in first source; isolated from the root and bark of Daphne odora | 2.08 | 1 | 0 | ||
| picropodophyllin picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity. picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | 7.04 | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
| cryptand 2.2 cryptand 2.2: a macrocyclic diaza-crown ether; structure given in first source | 2.05 | 1 | 0 | ||
| bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7. | 2.21 | 1 | 0 | benzenes; phenanthrolines | chelator |
| 5-bromosalicylaldehyde 5-bromosalicylaldehyde: structure in first source | 2.25 | 1 | 0 | ||
| methanesulfonamide [no description available] | 2.45 | 2 | 0 | ||
| 2-aminobenzenesulfonamide [no description available] | 2.04 | 1 | 0 | benzenes; sulfonamide | |
| indole-2-carboxylic acid [no description available] | 7.47 | 2 | 0 | indolyl carboxylic acid | |
| 2-aminobenzonitrile o-aminobenzonitrile: structure in first source | 2.5 | 2 | 0 | ||
| 6-chlorouracil 6-chlorouracil: radiolabelled with 36Cl | 2.07 | 1 | 0 | ||
| 2-chloropyrazine 2-chloropyrazine: structure in first source | 2.1 | 1 | 0 | pyrazines | |
| pretazettine pretazettine: potent inhibitor of viral reverse transcriptase; narcissus alkaloid; prolongs life of leukemic mice; RN given refers to (6a beta,8 beta)-isomer; structure | 7.02 | 1 | 0 | alkaloid | |
| furanomycin furanomycin: structure given in first source. furanomycin : A non-proteinogenic L-alpha-amino acid that is L-alanine in which the methyl group is replaced by a (2R,5S)-5-methyl-2,5-dihydrofuran-2-yl moiety. | 2.48 | 2 | 0 | dihydrofuran; non-proteinogenic L-alpha-amino acid | antibacterial agent; antimicrobial agent; bacterial metabolite |
| glycyl-histidyl-lysine glycyl-histidyl-lysine: found in human plasma; promotes proliferation of hepatoma cells, lymphocytes & mycoplsma; maintains viability of hepatocytes, eosinophils and macrophages; inhibits growth of glial cells; RN given refers to (L)-isomer. Gly-His-Lys : A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence. | 1.97 | 1 | 0 | tripeptide | chelator; hepatoprotective agent; metabolite; vulnerary |
| flusilazole flusilazole: structure given in first source. flusilazole : An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. | 2.05 | 1 | 0 | conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| 9-hydroxymethylanthracene 9-hydroxymethylanthracene: structure given in first source | 2.07 | 1 | 0 | ||
| oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups. | 4.51 | 22 | 0 | carbamate ester; oxazolidinone | metabolite |
| ceric oxide ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis. | 4.1 | 14 | 0 | cerium molecular entity; metal oxide | |
| hexamethyldisilane [no description available] | 2.44 | 2 | 0 | ||
| (2.2)paracyclophane (2.2)paracyclophane: structure in first source | 2.06 | 1 | 0 | ||
| bis(diphenylphosphine)ethane [no description available] | 2.02 | 1 | 0 | diphosphanes; tertiary phosphine | allergen |
| perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. | 2.03 | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
| n,n'-dibutylurea N,N'-dibutylurea: structure in first source | 2.07 | 1 | 0 | ||
| 2-naphthylamide naphthalene-2-carboxamide: structure in first source. naphthalene-2-carboxamide : A naphthalenecarboxamide resulting from the formal condensation of the carboxy group of 2-naphthoic acid with ammonia. | 2.1 | 1 | 0 | naphthalenecarboxamide | |
| 4-(2-thiazolylazo)resorcinol 4-(2-thiazolylazo)resorcinol: sensitive indicator for metals | 2.06 | 1 | 0 | ||
| octadecyl palmitate octadecyl palmitate: found in psoriatic nail, but not in normal nails. stearyl palmitate : A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of stearyl alcohol. | 1.96 | 1 | 0 | hexadecanoate ester; wax ester | coral metabolite; cosmetic |
| cyclobutanol cyclobutanol: structure in first source | 3.16 | 1 | 0 | ||
| 2-aminoindan [no description available] | 2.11 | 1 | 0 | ||
| 3-(4-methoxybenzoyl)propionic acid 3-(4-methoxybenzoyl)propionic acid: a selectin inhibitor | 2.04 | 1 | 0 | ||
| 2,5-furandicarboxylic acid furan-2,5-dicarboxylic acid : A member of the class of furans carrying two carboxy substituents at positions 2 and 5. | 2.57 | 2 | 0 | dicarboxylic acid; furans | human urinary metabolite |
| phenyliodosodiacetate phenyliodosodiacetate: glycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions; structure | 2.52 | 2 | 0 | ||
| 6-carboxyfluorescein 6-carboxyfluorescein: originally sold as 6-carboxyfluorescein, but commercial product is a mixture of two isomers; correct name is 5(6)-carboxyfluorescein | 2.21 | 1 | 0 | monocarboxylic acid | |
| 4-iodopyrazole [no description available] | 2.11 | 1 | 0 | organoiodine compound; pyrazoles | |
| 5-aminoindole 5-aminoindole: structure in first source. 1H-indol-5-amine : An indolamine carrying an amino group at position 5. | 2.11 | 1 | 0 | indolamine | |
| imidazo(1,2-a)pyridine imidazo(1,2-a)pyridine: structure | 2.66 | 2 | 0 | ||
| 1-methylcytosine 1-methylcytosine: RN given refers to parent cpd. 1-methylcytosine : A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group. | 7.74 | 3 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
| n-hydroxysuccinimide N-hydroxysuccinimide: structure | 2.11 | 1 | 0 | ||
| methylenecyclopropane methylenecyclopropane: structure in first source | 7.8 | 3 | 0 | ||
| cyclopropanecarboxamide cyclopropylcarboxamide : Carboxamides RC(=O)NR'R'' where R is a cyclopropyl group. | 2.08 | 1 | 0 | cyclopropylcarboxamide | |
| 4-cyclohexylaniline 4-cyclohexylaniline: analgesic activity | 2.08 | 1 | 0 | ||
| 2-bromobenzaldehyde 2-bromobenzaldehyde: structure in first source | 2.11 | 1 | 0 | ||
| 1,8-diazabicyclo(5.4.0)undec-7-ene [no description available] | 2.07 | 1 | 0 | ||
| 1,3-bis(diphenylphosphino)propane 1,3-bis(diphenylphosphino)propane: structure in first source | 3.14 | 5 | 0 | ||
| benzylphosphonic acid [no description available] | 2.17 | 1 | 0 | benzenes | |
| 2,6-diformyl-p-cresol [no description available] | 2.05 | 1 | 0 | ||
| 2-hydroxy-2-methylpropiophenone 2-hydroxy-2-methylpropiophenone: structure in first source | 7.02 | 1 | 0 | ||
| trimethylsilyl cyanide [no description available] | 2.41 | 1 | 0 | ||
| 2-aminoimidazole 2-aminoimidazole: from catabolism of arginine | 2.1 | 1 | 0 | ||
| platinum oxide [no description available] | 2.47 | 2 | 0 | ||
| vanadium dioxide [no description available] | 2.08 | 1 | 0 | vanadium oxide | |
| 1,5-cod 1,5-cyclooctadiene: used in production of Nylon | 2.74 | 3 | 0 | ||
| xenon fluoride xenon fluoride: RN given refers to XeF2 | 2.04 | 1 | 0 | ||
| 3-(trimethoxysilyl)propylamine 3-(trimethoxysilyl)propylamine: reagent for making polymers; structure in first source | 2.17 | 1 | 0 | ||
| clarithromycin Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. | 3.31 | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
| hydrazinoacetic acid hydrazinoacetic acid: structure given in first source | 2.03 | 1 | 0 | ||
| dibenzo-24-crown-8 [no description available] | 2.1 | 1 | 0 | ||
| cobalt-ethylenediamine tetraacetic acid chelate cobalt-ethylenediamine tetraacetic acid chelate: RN given refers to parent cpd; synonym dicobalt edetate refers to di-Na salt | 1.97 | 1 | 0 | ||
| zwittergent 3-14 [no description available] | 2.06 | 1 | 0 | organosulfonic acid | |
| bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3. | 3.18 | 5 | 0 | bromine oxoanion; monovalent inorganic anion | |
| trimethylsilyl iodide trimethylsilyl iodide: structure in first source | 2.41 | 1 | 0 | ||
| nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 2.71 | 3 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
| cherylline cherylline: structure in first source | 7 | 1 | 0 | isoquinolines | |
| tandospirone tandospirone: structure given in first source. tandospirone : A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM). | 2.11 | 1 | 0 | bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines | antidepressant; anxiolytic drug |
| 4-chloroindole [no description available] | 2.1 | 1 | 0 | ||
| indium arsenide [no description available] | 2.47 | 2 | 0 | ||
| goethite [no description available] | 2.1 | 1 | 0 | ||
| homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration. | 2.69 | 3 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
| lyngbyatoxin a lyngbyatoxin A: indole alkaloid from blue-green alga Lyngbya majuscula Gomont; responsible for dermatitis known as swimmers' itch in Hawaii | 2.02 | 1 | 0 | indoles | |
| tylophorine tylophorine: phenanthroindolizidine alkaloid | 7.05 | 1 | 0 | organic heteropentacyclic compound; organonitrogen heterocyclic compound | |
| 3-aminobenzeneboronic acid [no description available] | 2.04 | 1 | 0 | ||
| triptycene triptycene: structure in first source | 4.35 | 5 | 0 | anthracenes | |
| tetrabromophenolphthalein ethyl ester tetrabromophenolphthalein ethyl ester: RN given refers to parent cpd | 2.08 | 1 | 0 | ||
| firefly luciferin Firefly Luciferin: A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).. Photinus luciferin : A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. | 2.17 | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
| quebrachamine quebrachamine: an indole alkaloid; isolated from Aspidosperma tree; structure given in first source | 2.13 | 1 | 0 | alkaloid | |
| erythrose D-erythrose : The D-enantiomer of erythrose. | 2.03 | 1 | 0 | erythrose | plant metabolite |
| n-acetyltryptophanamide [no description available] | 2.02 | 1 | 0 | acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide | |
| pyrroline pyrroline: RN given refers to cpd with unspecified locant for dihydro moiety. pyrroline : Any organic heteromonocyclic compound with a structure based on a dihydropyrrole. | 2.44 | 2 | 0 | pyrroline | |
| pyrogallol sulfonphthalein [no description available] | 2.01 | 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. | 2.81 | 3 | 0 | D-glucuronic acid | algal metabolite |
| 2,2',4,4'-tetrabromodiphenyl ether [no description available] | 2.8 | 3 | 0 | aromatic ether; organobromine compound | |
| 4-mercaptobenzoate 4-mercaptobenzoate: substrate for 4-hydroxybenzoate hydroxylase | 2.07 | 1 | 0 | ||
| 2,2-dimethyl-beta-alanine [no description available] | 2.03 | 1 | 0 | ||
| 1-methylthymine 1,5-dimethyluracil : A pyrimidone that is uracil with methyl group substituents at positions 1 and 5. | 2 | 1 | 0 | methylthymine | metabolite |
| septacidin septacidin: structure | 2.41 | 2 | 0 | ||
| 8-bromo-2'-deoxyadenosine [no description available] | 2.13 | 1 | 0 | ||
| pimprinine pimprinine: structure | 7.11 | 1 | 0 | ||
| benzothiazoline [no description available] | 7.06 | 1 | 0 | ||
| canthin-6-one canthin-6-one: from Zanthoxylum usambarense; structure in first source. canthin-6-one : An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. | 2.05 | 1 | 0 | enone; indole alkaloid; organic heterotetracyclic compound | antimycobacterial drug; metabolite |
| 3,4-dehydroproline 3,4-dehydroproline: RN given refers to cpd without stereoisomeric designation | 1.96 | 1 | 0 | ||
| 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine: behaves as a partial agonist toward both alpha1-adrenergic & 5-HT(2) serotonergic receptors. 2,5-dimethoxy-4-bromophenethylamine : A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl. | 2.1 | 1 | 0 | 2-arylethylamine | |
| cellulose sulfate cellulose sulfate: RN given refers to cpd with unknown MF; vaginal gel being developed as both a contraceptive and blockage to STD somewhat like nonoxynol-9 | 2.25 | 1 | 0 | ether; flavonoids | |
| tetrathiafulvalene tetrathiafulvalene: used in carbon paste amperometric enzyme electrode for the determination of glucose in flowing systems. tetrathiafulvalene : A member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2. | 3.61 | 2 | 0 | fulvalenes; organosulfur heterocyclic compound | |
| diosgenin [no description available] | 2.25 | 1 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
| aurofusarin aurofusarin: from Fusarium graminearum; structure given in first source | 2.17 | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
| 1,4-3,6-dianhydromannitol 1,4-3,6-dianhydromannitol: structure in first source | 2.1 | 1 | 0 | ||
| foxes Foxes: Any of several carnivores in the family CANIDAE, that possess erect ears and long bushy tails and are smaller than WOLVES. They are classified in several genera and found on all continents except Antarctica. | 2.41 | 1 | 0 | ||
| combretastatin combretastatin: cytotoxic principle from South African tree COMBRETUM caffrum; structure given in first source; acts at COLCHICINE site of TUBULIN | 2.05 | 1 | 0 | ||
| lavendamycin lavendamycin: from Streptomyces lavendulae; structure given in first source | 2.45 | 2 | 0 | ||
| 2-hydroxyhydroquinonephthalein [no description available] | 2.43 | 2 | 0 | ||
| histidylglycine histidylglycine: RN given refers to all (L)-isomer. His-Gly : A dipeptide formed from L-histidine and glycine residues. | 7.03 | 1 | 0 | dipeptide | metabolite |
| ethyl magnesium bromide ethyl magnesium bromide: prepard from magnesium turnings & ethyl bromide | 2.02 | 1 | 0 | ||
| androst-16-en-3-ol [no description available] | 2.13 | 1 | 0 | 3alpha-sterol | pheromone |
| octaethylporphyrin octaethylporphyrin: structure in first source | 2.08 | 1 | 0 | ||
| 1,2-distearoylphosphatidylethanolamine 1,2-distearoylphosphatidylethanolamine: RN given refers to cpd without isomeric designation. 1,2-distearoylphosphatidylethanolamine : A phosphatidylethanolamine in which the phosphatidyl acyl group at C-1 and C-2 is stearoyl. | 2.11 | 1 | 0 | phosphatidylethanolamine zwitterion; phosphatidylethanolamine | human metabolite |
| cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 11.95 | 170 | 5 | cobalt group element atom; metal allergen | micronutrient |
| yttrium radioisotopes Yttrium Radioisotopes: Unstable isotopes of yttrium that decay or disintegrate emitting radiation. Y atoms with atomic weights 82-88 and 90-96 are radioactive yttrium isotopes. | 2.04 | 1 | 0 | ||
| chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion. | 2.76 | 2 | 0 | chlorine oxoanion; monovalent inorganic anion | |
| arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | 2.84 | 3 | 0 | oligopeptide | |
| copper cuprous ion: RN given refers to Cu(1+) | 2.08 | 1 | 0 | copper cation; monoatomic monocation | cofactor |
| cremophor el cremophor EL: solvent for Althesin & Propanidid implicated as possible cause of similar adverse effects polyethoxylated castor oil; RN given refers to cpd with unknown MF; see also records for cremophor & cremophor A | 2.07 | 1 | 0 | ||
| indolactam v indolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first source | 1.99 | 1 | 0 | indoles | |
| artesunic acid [no description available] | 2.41 | 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). | 5.5 | 20 | 0 | ||
| epibatidine epibatidine: a powerful, though toxic, pain killer produced by the poison arrow frog, Epipedobates tricolor; structure given in first source; more potent than morphine but acts at nicotine rather than opiate receptors | 3.27 | 6 | 0 | ||
| bromoacetaldehyde bromoacetaldehyde: RN given refers to unlabeled cpd | 1.97 | 1 | 0 | organobromine compound | |
| 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate: a surfactant; structure given in first source | 2.06 | 1 | 0 | 1,1-diunsubstituted alkanesulfonate | |
| tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure | 2.03 | 1 | 0 | beta-carbolines | |
| procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways. | 2.03 | 1 | 0 | proanthocyanidin | |
| perhydrohistrionicotoxin perhydrohistrionicotoxin: RN given refers to (6R-(6 alpha(R*),7 beta,8 alpha))-isomer; structure | 2 | 1 | 0 | ||
| phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid. | 9.13 | 15 | 0 | phosphite ion; trivalent inorganic anion | |
| deguelin deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source. deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. | 2.11 | 1 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
| solenopsin a Solenopsin A: structure | 2.31 | 1 | 0 | ||
| fingolimod hydrochloride Fingolimod Hydrochloride: A sphingosine-derivative and IMMUNOSUPPRESSIVE AGENT that blocks the migration and homing of LYMPHOCYTES to the CENTRAL NERVOUS SYSTEM through its action on SPHINGOSINE 1-PHOSPHATE RECEPTORS. It is used in the treatment of MULTIPLE SCLEROSIS.. fingolimod hydrochloride : The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). | 2.07 | 1 | 0 | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
| dihydrocapsaicin [no description available] | 2.03 | 1 | 0 | capsaicinoid | |
| triptolide [no description available] | 2.1 | 1 | 0 | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite |
| 1-hexadecyl-2-acetyl-glycero-3-phosphocholine Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. | 2.05 | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
| deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen. | 2.73 | 3 | 0 | ||
| titanium isopropoxide titanium(IV) isopropoxide : A titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions. | 2.71 | 3 | 0 | ||
| valerates Valerates: Derivatives of valeric acid, including its salts and esters. | 1.94 | 1 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
| aporphine aporphine: RN given refers to parent cpd without isomeric designation. aporphine : An isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. | 7.31 | 1 | 0 | aporphine alkaloid; isoquinoline alkaloid fundamental parent; tertiary amino compound | |
| protoberberine protoberberine: a benzyltetrahydroisoquinoline derivative that appears as an isoquinoline annelated (adjoined) with a naphthylene; the nitrogen is typically quarternary; nitidine is annelated differently; RN given refers to parent cpd | 2.13 | 1 | 0 | ||
| duocarmycin sa duocarmycin SA: structure similar to CC-1065 and yatakemycin, composed of a pyrrolo-indole plus an indole; isolated from Streptomyces | 2.04 | 1 | 0 | ||
| methyl phenylglycine methyl phenylglycine: RN given refers to parent cpd without isomeric designation | 2.05 | 1 | 0 | ||
| gallium nitride [no description available] | 7.21 | 1 | 0 | ||
| l-lysine methyl ester methyl L-lysinate : The L-lysyl ester formed by conjugating L-lysine with methanol. | 2.03 | 1 | 0 | L-lysyl ester | |
| ruthenium tetraoxide ruthenium tetraoxide: RN given refers to unlabeled cpd with MF of Ru-O4 | 2.13 | 1 | 0 | ||
| nitroflurbiprofen nitroflurbiprofen: a cyclooxygenase inhibitor. nitroflurbiprofen : A carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2. | 2 | 1 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
| caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. | 2.99 | 4 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
| pramipexole Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME.. pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. | 3.71 | 2 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
| pentosidine pentosidine: structure given in first source. pentosidine : An imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively. | 2.07 | 1 | 0 | imidazopyridine; non-proteinogenic L-alpha-amino acid | biomarker; cross-linking reagent |
| valdecoxib [no description available] | 2.77 | 3 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| pitofenone pitofenone: structure | 2.08 | 1 | 0 | benzophenones | |
| 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid: structure given in first source. DOTA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. | 2.55 | 2 | 0 | azamacrocycle | chelator; copper chelator |
| trapoxin a trapoxin A: from Helicoma ambiens; structure given in first source. trapoxin A : A homodetic cyclic tetrapeptide constructed from L-phenylalanyl (x2), D-pipecolinyl and L-2-amino-8-oxo-9,10-epoxydecanoyl residues. | 2.17 | 1 | 0 | epoxide; homodetic cyclic peptide; ketone | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite |
| zk 93423 [no description available] | 2.01 | 1 | 0 | beta-carbolines | |
| prisma-fil heliobond: visible-light-curing monomer component of composite resins | 3.38 | 1 | 1 | ||
| nectrisine nectrisine: produced by the fungus, Nectria lucida F-4490; structure given in first source | 7.13 | 1 | 0 | ||
| tryptophan methyl ester tryptophan methyl ester: RN given refers to parent cpd(DL)-isomer | 2.01 | 1 | 0 | ||
| saccharolactone saccharolactone: used as index for assessing induction of hepatic enzymes by anticonvulsants; RN given refers to cpd without isomeric designation. D-glucaro-1,4-lactone : A delta-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid. | 3.31 | 1 | 0 | aldarolactone; delta-lactone | |
| benzyne benzyne: structure in first source. benzyne : 1,2-didehydrobenzene and its derivatives formed by substitution. | 4.79 | 9 | 0 | aryne; benzyne | |
| niobium pentoxide [no description available] | 2.55 | 2 | 0 | ||
| methyleneimine methyleneimine: RN given refers to parent cpd; structure in first source | 2.21 | 1 | 0 | aldimine; one-carbon compound | |
| phenoxy radical phenoxy radical : An organic radical generated from phenol. | 2.08 | 1 | 0 | organic radical | |
| stannane [no description available] | 4.13 | 15 | 0 | mononuclear parent hydride; tin hydride | |
| carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state). | 9.16 | 125 | 0 | carbene; methanediyl | |
| cyclopropene cyclopropene: structure. cyclopropene : A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes. | 3.01 | 4 | 0 | cycloalkene; cyclopropenes | |
| disiloxane [no description available] | 7 | 1 | 0 | siloxane | |
| hydronium ion [no description available] | 2.41 | 1 | 0 | onium cation; oxygen hydride | |
| peroxynitrous acid Peroxynitrous Acid: A potent oxidant synthesized by the cell during its normal metabolism. Peroxynitrite is formed from the reaction of two free radicals, NITRIC OXIDE and the superoxide anion (SUPEROXIDES). | 2.05 | 1 | 0 | nitrogen oxoacid | |
| perchlorate perchlorate: the explosive component of rocket fuel; an environmental contaminant that disrupts THYROID HORMONES. perchlorate : A monovalent inorganic anion obtained by deprotonation of perchloric acid. | 3.19 | 5 | 0 | chlorine oxoanion; monovalent inorganic anion | |
| cyclopropanol [no description available] | 9.29 | 5 | 0 | aliphatic alcohol; cyclopropanes | |
| diphenylphosphorazidate diphenylphosphorazidate: reagent for racemization-free peptide synthesis; structure | 2.1 | 1 | 0 | ||
| 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. | 4.33 | 18 | 0 | fullerene | geroprotector |
| imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. | 2.13 | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
| tecastemizole [no description available] | 2.07 | 1 | 0 | ||
| mk 0663 [no description available] | 2.52 | 2 | 0 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| gefitinib [no description available] | 2.13 | 1 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| 4-carboxyfluorescein [no description available] | 2.58 | 2 | 0 | monocarboxylic acid | fluorochrome |
| c & b metabond Super-bond: an adhesive resin composed of 4-methacryloxyethyltrimellitic anhydride (4-META), methylmethacrylates (MMA) and tri-n-butylborane (TBB) | 4.16 | 16 | 0 | ||
| polytrimethylene carbonate trimethylene carbonate: structure in first source | 2.6 | 1 | 0 | ||
| dihydrotetrabenazine dihydrotetrabenazine: RN given refers to cpd without isomeric designation | 2.05 | 1 | 0 | isoquinolines | |
| dehydroalanine 2-ammonioprop-2-enoate : An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 2-aminoacrylic acid.. 2-aminoacrylic acid : A 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. | 7.8 | 3 | 0 | 2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid | alkylating agent; human metabolite; mouse metabolite |
| tert-butyl beta-carboline-3-carboxylate tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | 2.06 | 1 | 0 | ||
| 2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine 2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine: structure given in first source | 2.03 | 1 | 0 | dihydroxypyrrolidine | |
| methotrexate [no description available] | 8.09 | 5 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
| murrayaquinone a murrayaquinone A: a carbazole alkaloid from Murraya (Rutaceae); structure given in first source | 7.1 | 1 | 0 | ||
| porphycene porphycene: photodynamic therapy agent; structure given in first source | 2.04 | 1 | 0 | ||
| salvinorin a salvinorin A: from the herb, Salvia divinorum | 7.46 | 2 | 0 | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
| tamsulosin [no description available] | 3.39 | 1 | 1 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
| planinin planinin: from Zanthoxylum planispinum; structure given in first source | 2.08 | 1 | 0 | lignan | |
| sulbactam [no description available] | 1.96 | 1 | 0 | penicillanic acids | |
| fr 900482 FR 900482: isolated from Streptomyces sandaensis; structure given in above source | 2.44 | 2 | 0 | ||
| flustramine b flustramine B: from Flustra foliacea L.; exhibits muscle relaxant activity both in vivo & in vitro; structure given in first source | 2.06 | 1 | 0 | ||
| gamma-carboline gamma-carboline: RN given refers to parent cpd; structure given in first source | 2.06 | 1 | 0 | pyridoindole | |
| carbapenems [no description available] | 2.01 | 1 | 0 | ||
| methacryloyloxydecyl dihydrogen phosphate methacryloyloxydecyl dihydrogen phosphate: structure given in first source | 2.69 | 3 | 0 | ||
| xylose xylopyranose: structure in first source | 8.19 | 5 | 0 | D-xylose | |
| fulvene fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes. | 7.48 | 2 | 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. | 8.17 | 5 | 0 | quinomethane | |
| conduritol b conduritol B: RN given for ((1alpha,2beta,3alpha,4beta)-(+-))-isomer; structure in first source. conduritol : A tetrol that is cyclohexene in which a hydrogen attached to each of the carbons at positions 3, 4, 5, and 6 is replaced by a hydroxy group. The group consists of six possible diastereoisomers, known as conduritols A to F, some of which can exist as two distinct enantiomers.. conduritol B : A racemate consisting of the two possible cyclohex-5-ene-1,2,3,4-tetrols in which the hydroxy groups at positions 2, 3, and 4 are in a trans,cis,trans- relationship to that at position 1. | 2 | 1 | 0 | cyclitol; secondary alcohol; tetrol | |
| beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. | 4.04 | 13 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
| ethynylpyridine ethynylpyridine: structure in first source | 2.21 | 1 | 0 | ||
| perrhenate perrhenate: RN given refers to cpd with MF of O4-Re | 3.9 | 3 | 0 | monovalent inorganic anion; rhenium oxoanion | |
| cyclohexadienone cyclohexadienone: structure in first source | 7.98 | 4 | 0 | ||
| sperm motility inhibitor 2 [no description available] | 3.1 | 1 | 0 | ||
| 1,3,5-triaza-7-phosphaadamantane 1,3,5-triaza-7-phosphaadamantane: structure in first source | 9.1 | 4 | 0 | ||
| proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | 4.29 | 18 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. | 2.13 | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
| altromycin b altromycin B: from an actinomycete; structure given in second source | 2.42 | 2 | 0 | ||
| lonafarnib lonafarnib: inhibitor of farnesyl protein transferase. lonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor. | 2 | 1 | 0 | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| levofloxacin Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase. | 9.97 | 2 | 1 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
| ezetimibe Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.. ezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer). | 2.01 | 1 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
| 4-boronophenylalanine 4-boronophenylalanine: neutron absorbing (10)B-cpd used in thermal neutron capturetherapy of malignant melanoma; RN given refers to (L)-isomer; structure given in first source | 2.48 | 2 | 0 | ||
| 3-methyleneoxindole [no description available] | 7.05 | 1 | 0 | oxindoles | |
| 4-aminophenylalanine 4-aminophenylalanine: RN given refers to cpd without isomeric designation. 4-amino-L-phenylalanine : The L-enantiomer of 4-aminophenylalanine.. 4-aminophenylalanine : A phenylalanine derivative that is phenylalanine carrying an amino group at position 4 on the benzene ring. | 2.31 | 1 | 0 | 4-aminophenylalanine; amino acid zwitterion | |
| 2-aminocyclohexanecarboxylic acid 2-aminocyclohexanecarboxylic acid: RN given for (trans)-isomer; structure in first source | 2.05 | 1 | 0 | ||
| glycine tert-butyl ester tert-butyl glycinate: structure in first source | 2 | 1 | 0 | ||
| phenyl di-n-pentylphosphinate phenyl di-n-pentylphosphinate: inhibitor of neuropathy target esterase (neurotoxic esterase) | 2.6 | 1 | 0 | ||
| ruboxistaurin ruboxistaurin: inhibits protein kinase C beta; structure in first source | 2 | 1 | 0 | ||
| naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. | 2.75 | 3 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| magellaninone magellaninone: isolated from Lycopodium; structure in first source | 2.11 | 1 | 0 | ||
| hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 4.29 | 17 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| triflimide triflimide: structure in first source | 2.15 | 1 | 0 | ||
| gallium oxide gallium oxide: RN given refers to unlabeled cpd | 1.99 | 1 | 0 | ||
| yttria yttria: molecular formula Y2-O3 | 2.51 | 2 | 0 | ||
| indium trichloride indium trichloride: RN given refers to parent cpd | 2.41 | 2 | 0 | ||
| bismuth orthovanadate bismuth vanadium tetraoxide: ferroelastic | 2.17 | 1 | 0 | ||
| singlet oxygen Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages. | 4.19 | 15 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
| silver phosphate silver phosphate: for chloride analysis in cystic fibrosis patch test | 2.04 | 1 | 0 | ||
| peroxymonosulfate peroxymonosulfate: oxidizing agent in prevention of tooth discoloration; RN given refers to ion(2-) | 7.82 | 2 | 0 | sulfur oxide; sulfur oxoanion | |
| justicidin a justicidins: from Justica procumbens | 2.08 | 1 | 0 | lignan | |
| fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols | 2.96 | 4 | 0 | ||
| carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted. | 8.19 | 5 | 0 | carbodiimide | |
| carbazic acid [no description available] | 2.43 | 2 | 0 | monocarboxylic acid; one-carbon compound | |
| abrine abrine: from seeds of Abrus precatorius; structure in first source. N(alpha)-methyl-L-tryptophan : A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. | 7.08 | 1 | 0 | L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid | Escherichia coli metabolite |
| ar-turmerone ar-turmerone: potent antivenom against snake bites; isolated form Curcuma longa; structure given in first source. (+)-(S)-ar-turmerone : A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. | 2.01 | 1 | 0 | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
| zirconium phosphate zirconium phosphate: reagent for carcinoembryonic antigen determination in plasma from patients having benign or malignant disease; RN given refers to cpd with unspecified ratio | 2.1 | 1 | 0 | ||
| zinc hematoporphyrin [no description available] | 2.11 | 1 | 0 | ||
| sclareol sclareol: structure given in first source. sclareol : A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. | 2.03 | 1 | 0 | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
| of 4949-i OF 4949-I: inhibitor of aminopeptidase B; produced by fungus Penicillium rugulosum OF4949; structure given in first source | 2.01 | 1 | 0 | ||
| cyclophellitol cyclophellitol: structure given in first source; isolated from Phellinus sp. | 8.52 | 2 | 0 | ||
| chlorocarbonic acid [no description available] | 2.07 | 1 | 0 | organooxygen compound | |
| homochelidonine homochelidonine: structure in first source | 2.76 | 3 | 0 | benzophenanthridine alkaloid | |
| tartrazine Tartrazine: An anionic, hydrophilic azo dye with an orange-yellow color used in fabrics, foods and cosmetics, and as a biological stain.. tartrazine : An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring. | 2.03 | 1 | 0 | ||
| cupric hydroxide copper hydroxide: used as an antifungal agent | 1.97 | 1 | 0 | organic molecular entity | |
| 5,6-dihydrothymidine 5,6-dihydrothymidine: RN given refers to cpd without isomeric designation. 5,6-dihydrothymidine : A pyrimidine 2'-deoxyribonucleoside having dihydrothymine as the nucleobase. | 2.11 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Mycoplasma genitalium metabolite |
| paromomycin Paromomycin: An aminoglycoside antibacterial and antiprotozoal agent produced by species of STREPTOMYCES.. paromomycin : An amino cyclitol glycoside that is the 1-O-(2-amino-2-deoxy-alpha-D-glucopyranoside) and the 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside of 4,6-diamino-2,3-dihydroxycyclohexane (the 1R,2R,3S,4R,6S diastereoisomer). It is obtained from various Streptomyces species. A broad-spectrum antibiotic, it is used (generally as the sulfate salt) for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis. | 2.06 | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
| silver fluoride [no description available] | 2.96 | 4 | 0 | fluoride salt; silver salt | |
| thiophosphoric acid thiophosphoric acid: RN given refers to parent cpd | 2.06 | 1 | 0 | phosphorothioic acid | |
| trimethylsilyldiazomethane trimethylsilyldiazomethane: reagent for organic synthesis | 2.04 | 1 | 0 | ||
| palladium(ii) acetate [no description available] | 3.2 | 5 | 0 | ||
| threitol threitol: RN given refers to (R*,R*)-isomer. D-threitol : The D-enantiomer of threitol. | 2.07 | 1 | 0 | threitol | human metabolite |
| grandisol grandisol: major component of the four synergistic cpds of male boll weevil pheromone | 2.47 | 2 | 0 | ||
| aminochrome 1 dopaminechrome: structure given in first source. dopaminechrome (enol form) : A member of the class of indolones that is 3,5-dihydro-2H-indole substituted by an oxo group at position 5 and a hydroxy group at position 6.. dopaminechrome (keto form) : A member of the class of indoledione that is 2,3,5,6-tetrahydro-1H-indole carrying oxo groups at positions 5 and 6; major microspecies at pH 7.3. It is an endogenous compound formed during dopamine oxidation and can induce neurotoxicity under certain aberrant conditions and induce Parkinson-like syndrome. | 2.05 | 1 | 0 | indoledione; orthoquinones | neurotoxin |
| dihydronarciclasine dihydronarciclasine: isolated from Zephyranthes candida; structure given in first source; RN given refers to (2S-(2alpha,3beta,4beta,4abeta,11balpha))-isomer | 2.05 | 1 | 0 | ||
| varenicline Varenicline: A benzazepine derivative that functions as an ALPHA4-BETA2 NICOTINIC RECEPTOR partial agonist. It is used for SMOKING CESSATION.. varenicline : An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. | 2.13 | 1 | 0 | ||
| biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 8.77 | 10 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
| palladium sulfonated alizarine palladium sulfonated alizarine: water soluble catalyst; RN given refers to sodium salt | 2.66 | 3 | 0 | ||
| 1-methyl-3-ethylimidazolium 1-methyl-3-ethylimidazolium: structure given in first source. 1-ethyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl. | 2.13 | 1 | 0 | 1-alkyl-3-methylimidazolium | |
| atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | 1.94 | 1 | 0 | ||
| lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 4.32 | 17 | 0 | ||
| crinipellin crinipellin: C22H28O5; crystalline antibiotic from submerged cultures of basidiomycete Crinipellis stipitaria | 2.31 | 1 | 0 | ||
| erlotinib hydrochloride [no description available] | 2.21 | 1 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
| organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. | 6.63 | 38 | 0 | divalent inorganic anion; phosphite ion | |
| agelastatin a agelastatin A: structure in first source | 7.44 | 2 | 0 | ||
| nickel monoxide [no description available] | 2.88 | 3 | 0 | ||
| brevianamide f brevianamide F: isolated from the endophyte from Aspergillus fumigatus associated with Melia azedarach L that could be used to develop a natural eco-friendly herbicide.structure in first source. brevianamide F : A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione bearing an indol-3-ylmethyl substituent at position 3 (the 3S,8aS-diastereomer, obtained by formal cyclocondensation of L-tryptophan and L-proline). | 2.1 | 1 | 0 | dipeptide; indoles; pyrrolopyrazine | metabolite |
| 9-ethynylphenanthrene 9-ethynylphenanthrene: structure given in first source | 2.11 | 1 | 0 | ||
| topsentin a topsentin A: number of carbony group = 1 for topsentin A and no carbonyl group for nortopsentin B and D; structure in first source | 2.1 | 1 | 0 | ||
| aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. | 8.04 | 4 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
| trachelanthamidine trachelanthamidine: structure given in first source | 7.06 | 1 | 0 | pyrrolizines | |
| 5'-deoxy-5'-iodouridine 5'-deoxy-5'-iodouridine: RN given refers to unlabeled cpd; main heading IDOXURIDINE refers to 2'-deoxy-5-iodouridine | 2.07 | 1 | 0 | ||
| 2'-deoxyadenosine triphosphate deoxyadenosine diphosphate: RN given refers to parent cpd. | 2.02 | 1 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| vancosamine vancosamine: amino sugar from vancomycin | 2.31 | 1 | 0 | ||
| aphanorphine aphanorphine: isolated from the fresh water blue-green alga; structure in first source | 2.06 | 1 | 0 | ||
| 1-oxoisoindole 1-oxoisoindole: structure | 2.99 | 4 | 0 | ||
| o-benzoylhydroxylamine O-benzoylhydroxylamine: oxidizing agent | 2.55 | 2 | 0 | ||
| phenserine phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase | 2.03 | 1 | 0 | ||
| 2-hydroxy-4-phenylbutanoate 2-hydroxy-4-phenylbutyric acid: structure given in first source | 2.05 | 1 | 0 | ||
| carbocysteine Carbocysteine: A compound formed when iodoacetic acid reacts with sulfhydryl groups in proteins. It has been used as an anti-infective nasal spray with mucolytic and expectorant action.. S-carboxymethyl-L-cysteine : An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group. | 1.98 | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
| valienamine valienamine: intermediate formed by microbial degradation of validamycins; structure given in first source | 2 | 1 | 0 | ||
| aziridine-2-carboxylic acid aziridine-2-carboxylic acid: structure given in first source | 2.54 | 2 | 0 | ||
| nothapodytine b nothapodytine B: isolated from Nothapodytes foetida; structure in first source | 2 | 1 | 0 | ||
| arnottin i arnottin I: structure in first source | 7 | 1 | 0 | ||
| 6-(n-(4-aminobutyl)-n-ethyl)amino-2,3-dihydrophthalazine-1,4-dione 6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione: forms a conjugate with progesterone; conjugate used for immunoassay of plasma progesterone | 2.13 | 1 | 0 | phthalazines | |
| chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer) | 2.5 | 2 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
| osemozotan osemozotan: 5-HT(1A) receptor agonist | 2 | 1 | 0 | ||
| 4-methoxyphenylboronic acid 4-methoxyphenylboronic acid: structure in first source | 2.53 | 2 | 0 | ||
| 2-deoxystreptamine 2-deoxystreptamine: RN given refers to parent cpd; structure.. 2-deoxystreptamine : An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen. | 2.1 | 1 | 0 | ||
| anabasine Anabasine: A piperidine botanical insecticide.. (S)-anabasine : The (S)-enantiomer of anabasine.. anabasine : A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. | 7.96 | 4 | 0 | anabasine | |
| tolvaptan [no description available] | 2.03 | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
| salophen salphen: structure in first source | 2.15 | 1 | 0 | ||
| brazilin brazilin: structure given in first source. brazilin : A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood). | 2.11 | 1 | 0 | 1-benzopyran | |
| cortisone [no description available] | 2.1 | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| lithium fluoride lithium fluoride: RN given refers to cpd with MF of Li-F; GR200-A is LiF activated by Mg, Cu, and P | 2.1 | 1 | 0 | ||
| aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. | 2.03 | 1 | 0 | indole alkaloid | |
| himandrine himandrine: RN given for (1R-(1alpha,4abeta,4bS*,5alpha,6alpha,7abeta,9alpha,11alpha,11aalpha,12R*,15R*))-isomer; structure in first source | 2.02 | 1 | 0 | ||
| aminopyridazine aminopyridazine: structure in first source | 2.03 | 1 | 0 | ||
| 3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring. | 2.11 | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
| 5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 3.19 | 5 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
| sodium sulfide sodium sulfide: see also record for sodium bisulfide; actisoufre is the sodium sulfide component of sulfur-containing thermal springs which is also found in Saccharomyces cerevisiae | 2.1 | 1 | 0 | ||
| propargylamine propargylamine: RN given refers to parent cpd; structure | 3.46 | 7 | 0 | ||
| 4-methylquinazoline 4-methylquinazoline: isolated from Nasonia vitripennis; structure in first source | 2.08 | 1 | 0 | ||
| 2-chlorobiphenyl 2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups. | 3.3 | 6 | 0 | monochlorobiphenyl | |
| uleine uleine: from the bark of Plumeria lancifolia; structure in first source | 7.13 | 1 | 0 | ||
| anisomycin Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. | 2.71 | 3 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
| benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 5.98 | 99 | 0 | ||
| potassium bromide potassium bromide : A metal bromide salt with a K(+) counterion. | 2.79 | 3 | 0 | potassium salt | |
| cyclotriveratrylene cyclotriveratrylene: structure in first source | 2.05 | 1 | 0 | ||
| noscapine Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. | 2.1 | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
| homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia. | 2.42 | 2 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
| tripdiolide tripdiolide: structure | 2.1 | 1 | 0 | oxacycle | |
| ketopinic acid ketopinic acid: structure in first source | 2 | 1 | 0 | ||
| pnu 120596 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea: an alpha7nAChR agonist; structure in first source | 2.08 | 1 | 0 | ureas | |
| wortmannin [no description available] | 2.5 | 2 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
| 2-oxindole 2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2. | 5.25 | 47 | 0 | gamma-lactam; indolinone | |
| rocaglamide rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source. rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. | 7.52 | 2 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
| esermethole esermethole: structure in first source | 2.74 | 3 | 0 | ||
| o-iodoxybenzoic acid o-iodoxybenzoic acid: structure in first source. 1-hydroxy-1,3-dioxobenziodoxole : A benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. It is a mild and efficient hypervalent iodine synthetic reagent used to carry out several selective oxidation reactions. | 2.51 | 2 | 0 | benziodoxole | EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; oxidising agent |
| 4,5-diazafluoren-9-one 4,5-diazafluoren-9-one: structure in first source | 2.82 | 3 | 0 | ||
| allocolchicine allocolchicine: not allo-isomer of colchicine; structure given in first source; RN given refers to (S)-isomer | 2.42 | 2 | 0 | ||
| tert-butyl cinnamate tert-butyl cinnamate: structure in first source | 2.05 | 1 | 0 | ||
| cercosporin cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants. cercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. | 2.05 | 1 | 0 | ||
| australine australine: RN & structure given in first source; inhibits amyloglucosidase & glycoprotein processing | 2.03 | 1 | 0 | ||
| harmicine harmicine: structure in first source | 2.05 | 1 | 0 | ||
| murrayafoline a murrayafoline A: structure in first source | 2.48 | 2 | 0 | ||
| isocryptolepine isocryptolepine: synthetic antimalarial alkaloid; structure in first source | 2.08 | 1 | 0 | ||
| korupensamine-b korupensamine A: from Ancistrocladus and triphyophyllum; structure in first source | 2 | 1 | 0 | isoquinolines; naphthalenes | |
| acetogenins Acetogenins: Polyketides of up to a few dozen carbons in length, formed by chain extension of multiple PROPIONATES and oxygenated to form tetrahydrofuran and lactone rings along the length of the chain. They are found in ANNONACEAE and other PLANTS. Related compounds cyclize to MACROLIDES. | 2.46 | 2 | 0 | ||
| diazonamide a diazonamide A: structure in first source | 2.02 | 1 | 0 | ||
| crinine crinine: structure in first source | 2.06 | 1 | 0 | alkaloid | |
| dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position. | 2.45 | 2 | 0 | ||
| povidone-iodine Povidone-Iodine: An iodinated polyvinyl polymer used as topical antiseptic in surgery and for skin and mucous membrane infections, also as aerosol. The iodine may be radiolabeled for research purposes. | 2.45 | 2 | 0 | ||
| 2-amino-4-oxo-5-chloropentanoate 2-amino-4-oxo-5-chloropentanoate: inhibitor of asparagine synthetase; structure | 2.11 | 1 | 0 | ||
| permanganate [no description available] | 2.04 | 1 | 0 | manganese oxoacid | |
| carboplatin [no description available] | 8.8 | 3 | 0 | ||
| tetrachloropalladium tetrachloropalladium: RN given refers to ion(2-); see also record for palladium chloride RN: 7647-10-1 | 4.38 | 20 | 0 | ||
| lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion. | 3.3 | 6 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
| s-adenosylhomocysteine S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.. S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. | 2.44 | 2 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
| glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. | 2.38 | 2 | 0 | ||
| arabinose [no description available] | 7.74 | 3 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
| n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl. | 2.73 | 3 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
| bradykinin [no description available] | 1.94 | 1 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
| amylopectin Amylopectin: A highly branched glucan in starch.. amylopectin : A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues. | 4.57 | 1 | 1 | ||
| glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2. | 3.33 | 6 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
| elastin [no description available] | 2.39 | 2 | 0 | oligopeptide | |
| epiglucan epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction. | 2.11 | 1 | 0 | ||
| ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 1.98 | 1 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
| allose [no description available] | 2.03 | 1 | 0 | allopyranose; D-allose | antioxidant |
| tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid. | 2.11 | 1 | 0 | tartaric acid | Escherichia coli metabolite |
| alpha-aminobutyric acid alpha-aminobutyric acid: RN given refers to cpd without isomeric designation. alpha-aminobutyric acid : An alpha-amino acid that is butyric acid bearing a single amino substituent located at position 2.. D-alpha-aminobutyric acid : An optically active form of alpha-aminobutyric acid having D-configuration. | 2.45 | 2 | 0 | alpha-aminobutyric acid; D-alpha-amino acid | |
| monoiodotyrosine Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.. iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.. monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.. 3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group. | 2.01 | 1 | 0 | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite |
| n-formylmethionine N-formyl-L-methionine : A L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group. | 2.15 | 1 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
| mannosamine mannosamine: RN given refers to parent cpd without isomeric designation. D-mannosamine : The D-enantiomer of mannosamine.. 2-amino-2-deoxy-D-mannopyranose : A D-mannosamine in cyclic pyranose form. | 2.05 | 1 | 0 | D-mannosamine | |
| arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 2.21 | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
| cellulase Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position. | 7.4 | 2 | 0 | cellotriose | |
| strychnine Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. | 8.56 | 8 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
| quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. | 1.94 | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
| digitoxin Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. | 7.74 | 3 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| saquinavir Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. | 2.11 | 1 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
| abacavir abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity. abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection. | 2.06 | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
| linezolid [no description available] | 7.1 | 1 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
| cefadroxil uvaricin: isolated from Uvaria accuminata; structure given in first source | 2 | 1 | 0 | polyketide | |
| ingenol [no description available] | 2.01 | 1 | 0 | cyclic terpene ketone; tetracyclic diterpenoid | |
| stevioside stevioside: Kaurene glucoside from leaves of Stevia rebaudiana; 300 times as sweet as sugar. stevioside : A diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America.. diterpene glycoside : A terpene glycoside in which the terpene moiety is a diterpenoid. | 2.07 | 1 | 0 | beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent |
| naringin [no description available] | 2.17 | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
| magellanine magellanine: RN refers to (4aS-(4aalpha,6alpha,6abeta,6balpha,10aalpha,11aR*))-isomer; structure in first source | 2.49 | 2 | 0 | piperidines | |
| altholactone altholactone: structure in first source | 2.03 | 1 | 0 | furopyran | |
| deoxynupharidine deoxynupharidine: RN given refers to (1alpha,4beta,7beta,9aalpha,1R)-isomer; structure. | 2.42 | 2 | 0 | quinolizines | |
| ochratoxin a ochratoxin A: structure in first source & in Merck, 9th ed, #6549. ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. | 2.17 | 1 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
| lentiginosine lentiginosine: from Astragalus lentiginosus | 2.17 | 1 | 0 | indolizines | |
| sedamine sedamine: piperidine alkaloid; structure in first source | 2.02 | 1 | 0 | citraconoyl group | |
| securinine securinine: a quinolizine pseudoalkaloid (not from amino acid) from Securinega suffurutiosa or Securinini nitras | 2.05 | 1 | 0 | indolizines | |
| hinokinin hinokinin: suppresses expression of both HBsAg and HBeAg. hinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). | 2.03 | 1 | 0 | benzodioxoles; gamma-lactone; lignan | trypanocidal drug |
| lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | 4.8 | 9 | 0 | ||
| spinosyn a spinosyn A: a macrolide ; structure in first source. spinosyn A : A spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad. | 7.44 | 2 | 0 | spinosyn insecticide; spinosyn | pediculicide |
| hamayne hamayne: structure in first source | 2.06 | 1 | 0 | alkaloid | |
| lycoramine lycoramine: structure in first source | 2.49 | 2 | 0 | benzazepine | |
| 7-deoxypancratistatin 7-deoxypancratistatin: a phytogenic antineoplastic agent; structure in first source | 7.03 | 1 | 0 | phenanthridines | |
| betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 4.05 | 13 | 0 | cyclodextrin | |
| maleic acid maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration. | 2.07 | 1 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
| 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 | 3.37 | 6 | 0 | cinnamic acid | plant metabolite |
| trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | 7.49 | 2 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
| tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. | 3.12 | 5 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
| alpha-cyclodextrin alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. | 2.04 | 1 | 0 | cyclodextrin | |
| resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration. | 7.8 | 3 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 3.65 | 2 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
| oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 7.37 | 2 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| ferric hydroxide ferric hydroxide: additional RNs for iron hydroxide oxide: 11115-92-7, 20344-49-4; RN for unspecified iron hydroxide: 11113-66-9 | 2.31 | 1 | 0 | ||
| pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid. | 5.29 | 3 | 1 | D-galactopyranuronic acid | |
| cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. | 2.74 | 3 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. | 3.31 | 1 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
| keratan sulfate Keratan Sulfate: A sulfated mucopolysaccharide initially isolated from bovine cornea. At least two types are known. Type I, found mostly in the cornea, contains D-galactose and D-glucosamine-6-O-sulfate as the repeating unit; type II, found in skeletal tissues, contains D-galactose and D-galactosamine-6-O-sulfate as the repeating unit.. keratan sulfate : A sulfated glycosaminoglycan, a linear polymer that consists of the repeating disaccharide [3)-beta-Gal-(1->4)-beta-GlcNAc-(1->] and containing sulfo groups located at random positions.. keratan 6'-sulfate : A keratan sulfate with random sulfation at the 6'-position. | 2.21 | 1 | 0 | ||
| fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus. | 2.06 | 1 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
| phenylalaninol phenylalaninol: inhibits intestinal absorption of phenylalanine; RN given refers to cpd with unspecified stereochemistry. L-phenylalaninol : An amino alcohol resulting from the formal reduction of the carboxy group of L-phenylalanine to the corresponding alcohol. | 2.41 | 1 | 0 | amino alcohol; amphetamines; primary alcohol; primary amino compound | |
| obeticholic acid obeticholic acid: A farnesoid X receptor agonist and anticholestatic agent that is used in the treatment of chronic liver diseases; structure in first source.. obeticholic acid : A dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis. | 2.25 | 1 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; dihydroxy-5beta-cholanic acid | farnesoid X receptor agonist; hepatoprotective agent |
| desoxyepothilone b desoxyepothilone B: microtubule-targeted antitumor agent; lacking the epoxide of epothilone B; may be equiv to epothilone D. epothilone D : An epithilone that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group. | 2.02 | 1 | 0 | epothilone | microtubule-stabilising agent |
| n-acetylmethionine N-acetylmethionine: RN given refers to L-isomer. N-acetylmethionine : A methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group. | 2 | 1 | 0 | L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine | nutraceutical |
| epothilone a Epothilones: A group of 16-member MACROLIDES which stabilize MICROTUBULES in a manner similar to PACLITAXEL. They were originally found in the myxobacterium Sorangium cellulosum, now renamed to Polyangium (MYXOCOCCALES). | 2.02 | 1 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
| alitretinoin Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA. | 2.7 | 3 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
| imidazolidines [no description available] | 3.7 | 9 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
| thymopentin Thymopentin: Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies. | 1.97 | 1 | 0 | oligopeptide | |
| iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES). | 2.06 | 1 | 0 | ||
| 7-deoxy-trans-dihydronarciclasine 7-deoxy-trans-dihydronarciclasine: structure in first source | 2.05 | 1 | 0 | ||
| aphidicolin Aphidicolin: An antiviral antibiotic produced by Cephalosporium aphidicola and other fungi. It inhibits the growth of eukaryotic cells and certain animal viruses by selectively inhibiting the cellular replication of DNA polymerase II or the viral-induced DNA polymerases. The drug may be useful for controlling excessive cell proliferation in patients with cancer, psoriasis or other dermatitis with little or no adverse effect upon non-multiplying cells.. aphidicolin : A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. | 7.42 | 2 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
| retrojusticidin b retrojusticidin B: isolated from Phyllanthus myrtifolius; structure in first source | 7.08 | 1 | 0 | ||
| 6,8-diprenylgenistein 6,8-diprenylgenistein: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source. 5,7,4'-trihydroxy-6,8-diprenylisoflavone : A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis. | 2.1 | 1 | 0 | 7-hydroxyisoflavones | antibacterial agent; plant metabolite |
| licoricidin licoricidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source. licoricidin : A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. | 2.1 | 1 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
| rhododaurichromanic acid a rhododaurichromanic acid A: structure in first source | 2.02 | 1 | 0 | ||
| potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed) | 1.94 | 1 | 0 | ||
| potassium acetate Potassium Acetate: A potassium salt used to replenish ELECTROLYTES, for restoration of WATER-ELECTROLYTE BALANCE, as well as a urinary and systemic alkalizer, which can be administered orally or by intravenous infusion. Formerly, it was used in DIURETICS and EXPECTORANTS.. potassium acetate : A potassium salt comprising equal numbers of potassium and acetate ions | 2.08 | 1 | 0 | potassium salt | food acidity regulator |
| sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. | 7.31 | 1 | 0 | organic sodium salt | 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 |
| sodium cyanate sodium cyanate: used in treatment of sickle cell anemia; RN given refers to cyanic acid, Na salt | 7.48 | 2 | 0 | cyanate salt; one-carbon compound | |
| ammonium acetate ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU. | 7.46 | 2 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
| davanone davanone: antifungal and antispasmodic isolated from natural Davana oil and Artemisia pallens; structure in first source | 2.05 | 1 | 0 | oxolanes | |
| oxazolidine oxazolidine: structure given in first source | 8.46 | 7 | 0 | oxazolidine | |
| bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. | 2.11 | 1 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
| 11-mercaptoundecanoic acid [no description available] | 2.48 | 2 | 0 | ||
| hemanthidine hemanthidine: crinine-like alkaloid from AMARYLLIDACEAE | 2.02 | 1 | 0 | ||
| di-tert-butyldiaziridinone di-tert-butyldiaziridinone: structure in first source | 2.98 | 4 | 0 | ||
| paniculatine paniculatine: isolated from Lycopodium; structure in first source | 2.11 | 1 | 0 | ||
| (trifluoromethyl)-trimethylsilane (trifluoromethyl)-trimethylsilane: structure in first source | 2.81 | 3 | 0 | ||
| calix(4)arene calix(4)arene: a cyclophane consisting of four phenolic units linked by methylene groups; structure in first source | 3.32 | 6 | 0 | ||
| ferruginine ferruginine: norferruginine is a nicotinic acetylcholine receptor agonist; structure in first source | 2 | 1 | 0 | ||
| 2-(trifluoromethyl)acrylic acid [no description available] | 7.11 | 1 | 0 | ||
| n-fluorobenzenesulfonimide N-fluorobenzenesulfonimide: structure in first source | 3.17 | 5 | 0 | ||
| 2-quinoxalinecarbonitrile 2-quinoxalinecarbonitrile: RN is from 9th CI, Chem Subs Index | 2.05 | 1 | 0 | ||
| mappicine mappicine: minor alkaloid from Mappia foetida Miers; related to camptothecin; structure | 7.41 | 2 | 0 | ||
| crinane crinane: structure in first source | 7.17 | 1 | 0 | ||
| 2-diphenylphosphinopyridine 2-diphenylphosphinopyridine: structure in first source | 2.05 | 1 | 0 | ||
| xantphos xantphos: structure in first source | 4.09 | 14 | 0 | ||
| flustramine a flustramine A: from Flustra foliacea L.; exhibits muscle relaxant activity both in vivo & in vitro; structure given in first source | 2.06 | 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. | 8.16 | 5 | 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 |
| geraniol [no description available] | 2.07 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
| glycosides [no description available] | 6.46 | 53 | 0 | ||
| 4-oxothiazolidine 4-oxothiazolidine: structure in first source | 2.15 | 1 | 0 | ||
| benzylideneacetone benzylideneacetone: RN given refers to cpd without isomeric; structure in Merck Index, 9th ed, #1153. trans-benzylideneacetone : The trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.. benzylideneacetone : An enone in which a phenyl ring is attached to the beta-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the alpha,beta-unsaturated ketone, only the trans-isomer is observed. | 2.06 | 1 | 0 | benzylideneacetone | bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance |
| chalcone trans-chalcone : The trans-isomer of chalcone. | 2.05 | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed) | 5.41 | 55 | 0 | isomethyleugenol | |
| crotonyl alcohol crotonyl alcohol: RN given refers to cpd without isomeric designation. crotyl alcohol : A primary alcohol in which the hydroxy function is bonded to a CH3CH=CHCH2- (crotyl) group. | 2.03 | 1 | 0 | primary alcohol | |
| phenyllithium phenyllithium: structure in first source | 2.07 | 1 | 0 | ||
| 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 |
| bicyclo(2.2.1)heptene bicyclo(2.2.1)heptene: structure in first source | 2.1 | 1 | 0 | bridged compound; carbobicyclic compound; cyclic olefin | |
| squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | 7.41 | 1 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 4.96 | 35 | 0 | stilbene | |
| coumestan coumestan: structure in first source. coumestan : A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6. | 3.01 | 4 | 0 | coumestans; delta-lactone | phytoestrogen; plant metabolite |
| rhazinicine rhazinicine: structure in first source | 2.04 | 1 | 0 | ||
| dibenzylidene acetone dibenzylidene acetone: structure in first source | 3.14 | 1 | 0 | ||
| 4-stilbazole 4-stilbazole: RN given refers to parent cpd; structure | 2.08 | 1 | 0 | ||
| n-boc-pyrrolidine N-Boc-pyrrolidine: structure in first source | 2.46 | 2 | 0 | ||
| salicylihalamide a salicylihalamide A: structure in first source | 2.06 | 1 | 0 | ||
| flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972) | 2.08 | 1 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
| pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 2.37 | 2 | 0 | diphosphate ion | |
| s 1033 [no description available] | 2.07 | 1 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| bz-423 [no description available] | 2.05 | 1 | 0 | ||
| polidocanol Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.. polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group. | 2.03 | 1 | 0 | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
| tropisetron Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting.. tropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. | 2.07 | 1 | 0 | indolyl carboxylic acid | |
| leuprolide Leuprolide: A potent synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE that regulates the synthesis and release of pituitary gonadotropins, LUTEINIZING HORMONE and FOLLICLE STIMULATING HORMONE.. leuprolide : An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. | 6.92 | 8 | 1 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
| propylthiouracil Propylthiouracil: A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534). 6-propyl-2-thiouracil : A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group. | 1.98 | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
| nsc 4347 NSC 4347: structure in first source | 2.07 | 1 | 0 | ||
| sesquiterpenes [no description available] | 5.92 | 31 | 0 | ||
| etomidate Etomidate: Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.. etomidate : The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity. | 2.06 | 1 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
| mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. | 3.83 | 12 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
| benzoylacrylic acid benzoylacrylic acid: structure in first source | 7.08 | 1 | 0 | ||
| phenylthiourea Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. | 2.54 | 2 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
| caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid. | 7.15 | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
| benzylidenephthalide benzylidenephthalide: contaminant of phenindione tablets considered as potentially immunogenic substance | 2.08 | 1 | 0 | ||
| diphenylthiourea N,N'-diphenylthiourea : Thiourea in which each nitrogen carries a phenyl substituent. | 2.01 | 1 | 0 | thioureas | allergen |
| 1-(1-naphthylmethyl)piperazine [no description available] | 2.05 | 1 | 0 | ||
| pyridine-2,6-dicarboxamide pyridine-2,6-dicarboxamide: structure in first source | 2.1 | 1 | 0 | ||
| curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 3.07 | 4 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| rhodanine 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure | 7.45 | 2 | 0 | thiazolidinone | |
| 5-iodouridine 5-iodouridine: RN given refers to unlabeled cpd | 2.79 | 3 | 0 | ||
| thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. | 3.66 | 9 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
| triethylammonium cation triethylammonium ion : An organoammonium cation having three ethyl substituents on the nitrogen atom. | 2.02 | 1 | 0 | ammonium ion derivative | |
| cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS. | 2.07 | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
| sulindac Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.. sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. | 2.11 | 1 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
| capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | 3.85 | 3 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
| allylthiourea [no description available] | 2.15 | 1 | 0 | thioureas | metabolite |
| n-glycylalanine Gly-Ala : A dipeptide formed from glycine and L-alanine residues. | 2 | 1 | 0 | dipeptide | metabolite |
| oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent. | 8.58 | 8 | 0 | ||
| thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 1.95 | 1 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
| 2-thiopyridine 2-thiopyridine: RN given refers to parent cpd. pyridine-2-thiol : Pyridine substituted at C-2 by a sulfanyl group. | 2.03 | 1 | 0 | aryl thiol; pyridines | allergen; fluorescence quencher |
| 2-mercaptothiazoline [no description available] | 2 | 1 | 0 | ||
| thiosemicarbazide thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group. | 7.72 | 3 | 0 | hydrazines; thiocarboxamide; thioureas | |
| thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. | 5.02 | 38 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
| safranine t safranin O : An organic chloride salt having 3,7-diamino-2,8-dimethyl-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria. | 2.6 | 1 | 0 | organic chloride salt | fluorochrome; histological dye |
| D-fructopyranose [no description available] | 2.93 | 4 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
| 4-thiopyridine 4-thiopyridine: RN given refers to 4-thiopyridine cpd | 2.06 | 1 | 0 | ||
| thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. | 7.31 | 1 | 0 | thiocarboxamide | hepatotoxic agent |
| tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively. | 9.53 | 7 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
| aflatoxin b aflatoxin B2: RN given refers to cpd without isomeric designation. aflatoxin B2 : An aflatoxin having a hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. | 7.01 | 1 | 0 | aflatoxin | |
| digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. | 2.08 | 1 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
| 4'-aminobenzo-15-crown-5 4'-aminobenzo-15-crown-5: structure in first source | 2.1 | 1 | 0 | ||
| selectfluor selectfluor: structure in first source | 2.11 | 1 | 0 | ||
| tamoxifen [no description available] | 4.89 | 10 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
| bis(pinacolato)diboron [no description available] | 7.71 | 3 | 0 | 1,3,2-dioxaborolane | EC 3.4.24.24 (gelatinase A) inhibitor |
| lithium bis(trimethylsilyl)amide lithium bis(trimethylsilyl)amide: structure in first source | 7 | 1 | 0 | ||
| 1-butyl-3-methylimidazolium 1-butyl-3-methylimidazolium: structure in first source. 1-butyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl. | 2.8 | 3 | 0 | 1-alkyl-3-methylimidazolium | |
| 1-hexylpyridinium [no description available] | 2.01 | 1 | 0 | ||
| 1-butyl-3-methylimidazolium hexafluorophosphate 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source | 2.08 | 1 | 0 | ||
| 1-butyl-3-methylimidazolium tetrafluoroborate [no description available] | 2.97 | 4 | 0 | ||
| nadp [no description available] | 1.94 | 1 | 0 | ||
| galactal galactal: RN given refers to cpd with unspecified isomeric designation; structure | 2.41 | 1 | 0 | anhydrohexose; glycal | |
| 1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 3.19 | 5 | 0 | ||
| rubeanic acid rubeanic acid: indicator for copper, cobalt, & nickel; structure | 2.42 | 2 | 0 | ||
| krn 7000 KRN 7000: has an alpha-galactosylceramide structure; structure given in first source. alpha-galactosylceramide : A galactosylceramide in which the galactosyl residue has alpha anomeric conofiguration.. 1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine : A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. | 2.15 | 1 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
| lincomycin Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.. lincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis. | 6.97 | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
| laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 7.75 | 3 | 0 | ||
| azoester azoester: causes hemolysis of human erythrocytes containing carbon monoxyhemoglobin; in those containing oxyhemoglobin instead, causes denaturation of intracellular constituents rather than membrance damage; thiol agent; structure | 2.75 | 3 | 0 | ||
| lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 5.9 | 30 | 0 | alkali metal atom | |
| cobaltous chloride cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants. | 5.19 | 11 | 1 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
| nitrogen dioxide Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface. | 3.31 | 6 | 0 | nitrogen oxide | |
| nizatidine Nizatidine: A histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers.. nizatidine : A member of the class of 1,3-thiazoles having a dimethylaminomethyl substituent at position 2 and an alkylthiomethyl moiety at position 4. | 1.99 | 1 | 0 | ||
| panomifene panomifene: structure given in UD 36:24m | 2.02 | 1 | 0 | ||
| raclopride Raclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist. | 2.11 | 1 | 0 | salicylamides | |
| quinine [no description available] | 2.88 | 4 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
| methyldithiocarbazate methyldithiocarbazate: structure | 7 | 1 | 0 | ||
| methyl radical [no description available] | 2.06 | 1 | 0 | organic radical | |
| 5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1h,7h)one 5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one: structure given in first source | 2.69 | 3 | 0 | ||
| cystine [no description available] | 1.94 | 1 | 0 | ||
| 6-(4-vinylbenzyl-n-propyl)amino-1,3,5-triazine-2,4-dithiol 6-(4-vinylbenzyl-n-propyl)amino-1,3,5-triazine-2,4-dithiol: adhesive bonding promoter for precious alloys; structure given in first source | 2.9 | 4 | 0 | ||
| preussin preussin: from Aspergillus ochraceus | 2.42 | 2 | 0 | ||
| nitinol nitinol: RN given refers to cpd with MF of Ni-Ti; do not confuse with titanium nickelide; other nitinols (nitinol SE and nitinol 55) are Co-Ni-Ti alloys | 3.46 | 1 | 1 | ||
| calixarenes Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name. | 9.38 | 19 | 0 | ||
| dipyrromethene dipyrromethene: structure in first source. dipyrrin : A dipyrrin that consists of pyrrole bearing a pyrrol-2-ylidenemethyl substituent at the 2-position. | 7.63 | 2 | 0 | dipyrrins | |
| chimonanthine chimonanthine: structure in first source. chimonanthine : A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'. | 2.47 | 2 | 0 | chimonanthine | |
| silicon nitride [no description available] | 2.03 | 1 | 0 | ||
| phosphonic acid phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids. | 4.96 | 6 | 0 | ||
| metaphosphoric acid metaphosphoric acid: RN given refers to cpd with structure HPO3. phosphonate(1-) : A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid. | 2.02 | 1 | 0 | ||
| 1,4-benzothiazine [no description available] | 7.08 | 1 | 0 | ||
| ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily. | 2.64 | 3 | 0 | ||
| anthraquinone sulfonate anthraquinone sulfonate: RN given refers to cpd with unspecified acid locant | 2.11 | 1 | 0 | ||
| 4-mercaptobenzeneacetic acid 4-mercaptobenzeneacetic acid: structure in first source | 2.17 | 1 | 0 | ||
| sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. | 8.82 | 11 | 0 | organic sodium salt | detergent; protein denaturant |
| lithium acetate lithium acetate : An acetate salt comprising equal numbers of acetate and lithium ions. | 2.15 | 1 | 0 | acetate salt; organic lithium salt | |
| zinc protoporphyrin ix [no description available] | 2.06 | 1 | 0 | ||
| alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side. | 1.94 | 1 | 0 | ||
| 2-ethynylaniline 2-ethynylaniline: structure in first source | 7.08 | 1 | 0 | ||
| 7-deazapurine 7-deazapurine: structure in first source | 2.03 | 1 | 0 | ||
| naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 4.16 | 15 | 0 | ||
| indole-2-carboxylate indole-2-carboxylate: structure in first source | 7.48 | 2 | 0 | ||
| sodium borohydride sodium borohydride: RN given refers to parent cpd | 9.2 | 16 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
| digitoxigenin Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.. digitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). | 7.46 | 2 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | |
| 3,4-ethylenedioxythiophene 3,4-ethylenedioxythiophene: structure in first source | 2.15 | 1 | 0 | ||
| 4-mercaptophenylboronic acid 4-mercaptophenylboronic acid: structure in first source | 7.17 | 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. | 2.11 | 1 | 0 | organic cation; xanthene dye | fluorochrome |
| 3-propoxy-beta-carboline 3-propoxy-beta-carboline: structure in first source | 2.06 | 1 | 0 | ||
| 3-deoxyisoochracinic acid 3-deoxyisoochracinic acid: structure in first source | 7.49 | 2 | 0 | ||
| pyrroloquinoline pyrroloquinoline: check to see if actually PYRROLOQUINOLINE QUINONE (PQQ COFACTOR) | 2.07 | 1 | 0 | ||
| palladium oxide palladium oxide: RN given refers to PdO | 5.13 | 41 | 0 | ||
| 2-mercaptoacetate 2-mercaptoacetate: RN given refers to parent cpd | 2.13 | 1 | 0 | monocarboxylic acid anion | |
| tropylium tropylium: structure in first source | 7.05 | 1 | 0 | monocyclic arene | |
| diethyl maleate diethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. | 2.01 | 1 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
| sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4. | 3.15 | 5 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
| quercetin [no description available] | 8.36 | 6 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
| dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.93 | 4 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| luteolin [no description available] | 2.41 | 1 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
| linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. | 1.93 | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
| calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 5.73 | 15 | 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 |
| vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. | 2.35 | 2 | 0 | ||
| beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues. | 2.52 | 2 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
| 11-cis-retinal Rhodopsin: A purplish-red, light-sensitive pigment found in RETINAL ROD CELLS of most vertebrates. It is a complex consisting of a molecule of ROD OPSIN and a molecule of 11-cis retinal (RETINALDEHYDE). Rhodopsin exhibits peak absorption wavelength at about 500 nm.. 11-cis-retinal : A retinal having 2E,4Z,6E,8E-double bond geometry. | 1.98 | 1 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
| leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. | 2.02 | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
| gossypetin gossypetin: inhibits activity of penicillinase enzyme in E coli. gossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. | 2.41 | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
| rosin rosin: Resin from plant. Do not confuse with the specific compound: 3-phenyl-2-propenyl-(E)-beta-D-glucopyranoside, also know as rosin. | 2.06 | 1 | 0 | ||
| cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 2.48 | 2 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
| rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 3.25 | 5 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| lipoxin a4 lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity. lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. | 2.05 | 1 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
| harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. | 1.97 | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
| genistein [no description available] | 2.1 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
| amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. | 2.05 | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
| clavulanic acid Clavulanic Acid: A beta-lactam antibiotic produced by the actinobacterium Streptomyces clavuligerus. It is a suicide inhibitor of bacterial beta-lactamase enzymes. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with other beta-lactam antibiotics it prevents antibiotic inactivation by microbial lactamase.. clavulanate : The conjugate base of clavulanic acid.. clavulanic acid : Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes. | 6.96 | 1 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
| montelukast montelukast: a leukotriene D4 receptor antagonist | 1.99 | 1 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
| cornexistin cornexistin: from Paecilomyces variotii; structure given in first source. 14-dihydroxycornestin : A cyclic dicarboxylic anhydride that is 5,6,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3(4H)-dione substituted by an ethylidene group at position 9, hydroxy groups at position 5 and 8, a propyl group at position 4 and an oxo group at position 6. | 2.01 | 1 | 0 | cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone | herbicide; metabolite |
| capsanthin [no description available] | 2 | 1 | 0 | carotenone | plant metabolite |
| harman harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 1.97 | 1 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| xanthatin xanthatin: a phytogenic antineoplastic agent; RN given refers to (3aR-(3aalpha,7beta,8abeta))-isomer; structure | 2.02 | 1 | 0 | sesquiterpene lactone | |
| humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene. | 7.01 | 1 | 0 | alpha-humulene | |
| morin morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. | 2.52 | 2 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
| coumestrol Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. | 2.02 | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
| wedelolactone wedelolactone: antihepatotoxic coumestan from Eclipta prostrata and Wedelia calendulacea (both Asteraceae); structure given in first source. wedelolactone : A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. | 7.47 | 2 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite |
| ginkgolic acid [no description available] | 2.17 | 1 | 0 | hydroxybenzoic acid | |
| soraphen a [no description available] | 2.41 | 1 | 0 | cyclic hemiketal; ether; macrolide; olefinic compound | bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent |
| methymycin methymycin: structure. methymycin : A twelve-membered macrolide antibiotic that is biosynthesised by Streptomyces venezuelae. | 2.05 | 1 | 0 | enone; macrolide antibiotic; monosaccharide derivative | bacterial metabolite |
| cinnamyl acetate cinnamyl acetate: structure in first source. cinnamyl acetate : An acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. | 2.08 | 1 | 0 | acetate ester | plant metabolite |
| olopatadine hydrochloride Olopatadine Hydrochloride: An antihistamine with mast-cell stabilizing properties used as eye drops in the treatment of ALLERGIC CONJUNCTIVITIS. | 2.13 | 1 | 0 | dibenzooxazepine | |
| triprolidine Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.. triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders. | 2.07 | 1 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
| pitavastatin pitavastatin : A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. | 2.11 | 1 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
| menaquinone 6 menaquinone 6: RN given refers to (all-E)-isomer | 2.03 | 1 | 0 | ||
| codeine [no description available] | 7.52 | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
| beta-nitrostyrene beta-nitrostyrene: RN given refers to cpd without isomeric designation | 2.02 | 1 | 0 | ||
| diminazene aceturate diminazene diaceturate : An N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine. | 2.25 | 1 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
| hydrocodone Hydrocodone: Narcotic analgesic related to CODEINE, but more potent and more addicting by weight. It is used also as cough suppressant.. hydrocodone : A morphinane-like compound that is a semi-synthetic opioid synthesized from codeine. | 2.25 | 1 | 0 | morphinane-like compound; organic heteropentacyclic compound | antitussive; mu-opioid receptor agonist; opioid analgesic |
| oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. | 2.1 | 1 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
| topiramate Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.. topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine. | 3.31 | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
| brefeldin a [no description available] | 2.02 | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
| n-methylalanine N-methylalanine: RN given refers to parent cpd(DL-Ala)-isomer. methyl-L-alanine : Any alanine derivative that is L-alanine having one or more methyl groups attached to the amino group.. N-methyl-L-alanine : A methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group. | 2.25 | 1 | 0 | amino acid zwitterion; methyl-L-alanine | |
| morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | 7.79 | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
| pactamycin Pactamycin: Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis. | 2.17 | 1 | 0 | ||
| peridinin peridinin: structure | 2.42 | 2 | 0 | ||
| cp 99994 3-(2-methoxybenzylamino)-2-phenylpiperidine: selective NK(1) receptor antagonist; CP-100263 is the inactive enantiomer | 2.05 | 1 | 0 | ||
| dexmedetomidine [no description available] | 2.15 | 1 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
| goserelin Goserelin: A synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE. Goserelin is used in treatments of malignant NEOPLASMS of the prostate, uterine fibromas, and metastatic breast cancer. | 3.62 | 3 | 0 | organic molecular entity | |
| preclamol preclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors | 2.49 | 2 | 0 | ||
| magnesium trisilicate magnesium trisilicate: RN given refers to parent cpd | 2.25 | 1 | 0 | ||
| mdl 100907 Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes. | 2.42 | 2 | 0 | ||
| ciguatoxins Ciguatoxins: Polycyclic ethers produced by Gambierdiscus (DINOFLAGELLATES) from gambiertoxins, which are ingested by fish which in turn may be ingested by humans who are susceptible to the CIGUATERA POISONING.. ciguatoxin CTX1B : A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin.. ciguatoxin : Ciguatoxins are cyclic polyether toxins, derived from marine dinoflagellates, which are responsible for the symptoms of ciguatera poisoning. Ingestion of tropical and subtropical fin fish contaminated by ciguatoxins results in an illness characterised by neurological, cardiovascular and gastrointestinal disorders. | 2.45 | 2 | 0 | ciguatoxin | metabolite |
| beta-bromostyrene [no description available] | 2.1 | 1 | 0 | ||
| biliverdine [no description available] | 2 | 1 | 0 | ||
| bisdemethoxycurcumin curcumin III: structure in first source. bisdemethoxycurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. | 7.31 | 1 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
| cinnamyl alcohol cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). | 2.97 | 4 | 0 | cinnamyl alcohol | plant metabolite |
| alpha-cuparenone alpha-cuparenone: structure in first source | 2.47 | 2 | 0 | ||
| iridal iridal: a plant triterpenoid; structure in first source | 2.04 | 1 | 0 | ||
| thunberginol a thunberginol A: isolated from Hydrangeae dulcis folium; structure given in first source | 7.05 | 1 | 0 | ||
| thebaine Thebaine: A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed) | 2.02 | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | |
| 2,6-dichloropurine [no description available] | 2.01 | 1 | 0 | ||
| cb676475 CB676475: structure in first source | 2.03 | 1 | 0 | quinazolines | |
| fosbretabulin fosbretabulin: a microtubule destabilizing agent isolated from Combretum caffrum; structure in first source | 2.98 | 4 | 0 | ||
| hemiasterlin hemiasterlin: structure in first source | 2.15 | 1 | 0 | ||
| lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 6.36 | 51 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
| tin [no description available] | 8.87 | 91 | 2 | carbon group element atom; elemental tin; metal atom | micronutrient |
| diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells. | 2.5 | 2 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
| antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes. | 10.06 | 13 | 0 | metalloid atom; pnictogen | |
| cesium Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency. | 5.93 | 19 | 0 | alkali metal atom | |
| barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous. | 2.4 | 2 | 0 | alkaline earth metal atom; elemental barium | |
| rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells. | 5.12 | 8 | 0 | alkali metal atom | |
| aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. | 5.03 | 40 | 0 | boron group element atom; elemental aluminium; metal atom | |
| 6-chloropurine [no description available] | 3.54 | 2 | 0 | purines | |
| strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62. | 9.2 | 5 | 0 | alkaline earth metal atom | |
| bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209. | 5.75 | 27 | 0 | metal atom; pnictogen | |
| thallium Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot). | 3.57 | 9 | 0 | boron group element atom | |
| alternariol alternariol: structure. alternariol : A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide. | 2.02 | 1 | 0 | benzochromenone; phenols | EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin |
| arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed) | 4.82 | 31 | 0 | metalloid atom; pnictogen | micronutrient |
| indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. | 9.35 | 88 | 2 | boron group element atom | |
| gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq. | 6.64 | 69 | 0 | boron group element atom | |
| sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 7.97 | 82 | 0 | chalcogen; nonmetal atom | macronutrient |
| methyl oleate [no description available] | 2.15 | 1 | 0 | fatty acid methyl ester | |
| musk musk: pure essence from secretion of preputial follicles of Moschus moschiferus L. | 2.31 | 1 | 0 | macrolide | |
| diphenylhexatriene Diphenylhexatriene: A fluorescent compound that emits light only in specific configurations in certain lipid media. It is used as a tool in the study of membrane lipids. | 2.08 | 1 | 0 | alkatriene | fluorochrome |
| urolithin b urolithin B: has antiproliferative activity; structure in first source | 2.15 | 1 | 0 | coumarins | |
| 2-formylpyridine thiosemicarbazone 2-formylpyridine thiosemicarbazone: structure; RN given refers to parent cpd without isomeric designation | 2 | 1 | 0 | ||
| deplancheine deplancheine: from Alstonia deplanchei; structure in first source | 2.05 | 1 | 0 | ||
| enalapril Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). | 2.01 | 1 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
| dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl). | 2.31 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
| deoxyribose [no description available] | 2.11 | 1 | 0 | deoxypentose | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| beryllium Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4. | 3.5 | 8 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
| acetyl acetonate [no description available] | 2.98 | 4 | 0 | ||
| acosamine acosamine: component of antibiotic actinodin; RN given refers to (L-arabino)-isomer; see also ristosamine, (L-ribo)-isomer: 51869-30-8 & daunosamine, (L-lyxo)-isomer: 26548-47-0. acosamine : A trideoxyhexose carrying a single amino substituent at position 3 and deoxygenated at positions 2, 3 and 6. | 2.08 | 1 | 0 | amino monosaccharide; trideoxyhexose derivative | |
| cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 6.88 | 48 | 0 | cysteinium | fundamental metabolite |
| silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086]. | 8.73 | 57 | 1 | carbon group element atom; metalloid atom; nonmetal atom | |
| phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 6.13 | 22 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
| 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. | 6.19 | 40 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
| 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.11 | 1 | 0 | ||
| lavandulol lavandulol: defensive pheromone of the red-lined carrion beetle and additive in perfumes; structure in first source. lavandulol : A monoterpenoid alcohol that is hepta-1-5-diene which is substituted at positions 2 and 6 by methyl groups and at position 3 by a hydroxymethyl group. It is commonly found in lavender oil. | 2.5 | 2 | 0 | lavandulol | |
| callystatin a callystatin A: structure in first source | 2.42 | 2 | 0 | diterpenoid | |
| phytochlorin phytochlorin: RN given refers to (2S-trans)-isomer; structure given in the first source | 2.06 | 1 | 0 | ||
| 2-acetylpyridine thiosemicarbazone 2-acetylpyridine thiosemicarbazone: RN given refers to parent cpd | 7 | 1 | 0 | ||
| strontium radioisotopes Strontium Radioisotopes: Unstable isotopes of strontium that decay or disintegrate spontaneously emitting radiation. Sr 80-83, 85, and 89-95 are radioactive strontium isotopes. | 4.5 | 4 | 0 | ||
| caesium-137 [no description available] | 2.69 | 2 | 0 | caesium atom | |
| pregabalin Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.. pregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues. | 3.65 | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
| ophiocordin ophiocordin: metabolite of Cordyceps ophioglossoides | 2 | 1 | 0 | ||
| vinigrol vinigrol: structure given in first source; produced by Virgaria nigra | 2.49 | 2 | 0 | ||
| noroxymorphone noroxymorphone: an opioid for spinal analgesia; structure in first source | 2.13 | 1 | 0 | phenanthrenes | |
| carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials. | 2.49 | 2 | 0 | cyanine dye; organic iodide salt | fluorochrome |
| cefotaxime Cefotaxime: Semisynthetic broad-spectrum cephalosporin.. cefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. | 2.07 | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
| cinnamylamine [no description available] | 2.06 | 1 | 0 | ||
| germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63. | 2.94 | 4 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
| selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE. | 5.99 | 26 | 1 | chalcogen; nonmetal atom | micronutrient |
| phosphorus pentoxide phosphorus pentoxide: drying agent for bacterial cultural extracts analyzed by gas-liquid chromatography; structure. diphosphonate(2-) : A divalent inorganic anion obtained by removal of both protons from diphosphonic acid. | 2.08 | 1 | 0 | ||
| selenocysteine Selenocysteine: A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid.. selenocysteine : An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group. | 7.17 | 1 | 0 | ||
| dimethyl hydrogen phosphite dimethyl hydrogen phosphite: intermediate in production of insecticides or herbicides | 2.05 | 1 | 0 | ||
| tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression. | 4.17 | 16 | 0 | chalcogen; metalloid atom | |
| boron oxide boron oxide: RN given refers to B2O3 | 2.07 | 1 | 0 | boron oxide | |
| allylsilane allylsilane: structure in first source | 2.1 | 1 | 0 | ||
| trimethoxysilane [no description available] | 7.06 | 1 | 0 | ||
| 9-borabicyclo(3,3,1)nonane [no description available] | 2.17 | 1 | 0 | ||
| radium Radium: A radioactive element of the alkaline earth series of metals. It has the atomic symbol Ra and atomic number 88. Radium is the product of the disintegration of URANIUM and is present in pitchblende and all ores containing uranium. It is used clinically as a source of beta and gamma-rays in radiotherapy, particularly BRACHYTHERAPY. | 2.69 | 2 | 0 | alkaline earth metal atom | |
| oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure. | 4.37 | 6 | 0 | ||
| clinoptilolite clinoptilolite: clinoptilolite was SY to zeolite (NM); use zeolites (NM) to search through 1993; RN is for cpd with unknown MF | 2.25 | 1 | 0 | ||
| valiant phd Valiant PhD: composed of 52.5% silver, 29.5% tin, 17.5% copper, and 0.5% palladium | 4.47 | 5 | 1 | ||
| (3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid Fluvastatin: An indole-heptanoic acid derivative that inhibits HMG COA REDUCTASE and is used to treat HYPERCHOLESTEROLEMIA. In contrast to other statins, it does not appear to interact with other drugs that inhibit CYP3A4.. (3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have S configuration.. fluvastatin : A racemate comprising equimolar amounts of (3R,5S)- and (3S,5R)-fluvastatin. An HMG-CoA reductase inhibitor, it is used (often as the corresponding sodium salt) to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia. | 2.11 | 1 | 0 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
| tytin tytin: composed of Ag, Cu, Sn | 2.91 | 4 | 0 | ||
| gisadent nca Gisadent NCA: nickel-chromium alloy | 1.96 | 1 | 0 | ||
| cholestanol Cholestanol: A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter. | 2.15 | 1 | 0 | cholestanoid | |
| hygromycin a hygromycin A: a cinnamide derivative produced by Streptomyces hygroscopicus; structure differs from HYGROMYCIN B | 2.41 | 2 | 0 | hydroxycinnamic acid | metabolite |
| bongkrekic acid Bongkrekic Acid: An antibiotic produced by Pseudomonas cocovenenans. It is an inhibitor of MITOCHONDRIAL ADP, ATP TRANSLOCASES. Specifically, it blocks adenine nucleotide efflux from mitochondria by enhancing membrane binding.. bongkrekic acid : A tricarboxylic acid that is docosa-2,4,8,10,14,18,20-heptaenedioic acid substituted at positions 2 ,5 and 17 by methyl groups, at positions 6 by a methoxy group and at position 20 by a carboxymethyl group. It is produced by the bacterium Burkholderia gladioli and implicated in outbreaks of food-borne illness involving coconut and corn-based products in Indonesia and China. | 2.06 | 1 | 0 | ether; olefinic compound; tricarboxylic acid | apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin |
| 24,25-dihydroxyvitamin d 3 24,25-Dihydroxyvitamin D 3: A physiologically active metabolite of VITAMIN D. The compound is involved in the regulation of calcium metabolism, alkaline phosphatase activity, and enhancing the calcemic effect of CALCITRIOL. | 2.05 | 1 | 0 | ||
| bornelone [no description available] | 7.08 | 1 | 0 | ||
| gambieric acid a gambieric acid A: structure given in first source; a polyether isolated from the marine dinoflagellate Gambierdiscus toxicus | 2.11 | 1 | 0 | ||
| germacrone germacrone: isolated from Curcuma wenyujin | 2.06 | 1 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
| involucrin involucrin: soluble precursor protein of cross-linked envelope characteristic of epidermal s. corneum synthesized by keratinocytes in natural & cultured human epithelia; see also related records for prekeratin & stratum corneum basic protein precursor | 2.11 | 1 | 0 | ||
| 1,2-dioleoyloxy-3-(trimethylammonium)propane 1,2-dioleoyloxy-3-(trimethylammonium)propane: fluorescent probe for phospholipids; RN & structure given in first source | 2.11 | 1 | 0 | ||
| bryostatin 2 bryostatin 2: semisynthetic cpd from Ectoprocta (Bryozoa); activates protein kinase C. bryostatin 2 : A member of the class of bryostatins that is bryostatin 1 in which the acetoxy group has been replaced by a hydroxy group. | 2.03 | 1 | 0 | bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | antineoplastic agent; marine metabolite; protein kinase C agonist |
| 9-oxo-15-hydroxy-delta 7,10,13-prostatrienoic acid methyl ester [no description available] | 2.01 | 1 | 0 | ||
| 2,3,5,4'-tetrahydroxystilbene 2-o-glucopyranoside 2,3,5,4'-tetrahydroxystilbene 2-O-glucopyranoside: isolated from dried root tubers of Polygonum multiflorum; structure in first source | 2.11 | 1 | 0 | ||
| sphingofungin b sphingofungin B: structure given in first source; isolated from Aspergillus fumigatus; also effective against Cryptococcus | 2.11 | 1 | 0 | long-chain fatty acid | |
| goniodomin a goniodomin A: polyether macrolide; metabolite of Goniodoma pseudogoniaulax | 7.77 | 3 | 0 | macrolide | |
| amphidinolide f amphidinolide F: cytotoxic macrolide from the marine dinoflagellate Amphidinium sp. | 2.53 | 2 | 0 | ||
| strobilurin b strobilurin B: structure given in first source; biological activity depends on methoxyacrylate activity. strobilurin B : An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. | 2.03 | 1 | 0 | enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; monochlorobenzenes; monomethoxybenzene | antifungal agent; fungal metabolite; mitochondrial cytochrome-bc1 complex inhibitor |
| gambierol gambierol: structure in first source | 2.01 | 1 | 0 | ||
| calyculin c calyculin C: from the marine sponge Discodermia calyx; structure in first source | 2.05 | 1 | 0 | ||
| amphidinolide c amphidinolide C: a potent cytotoxic 25-membered macrolide from marine dinoflagellate Amphidinium sp.; structure in first source | 2.05 | 1 | 0 | ||
| terpestacin terpestacin: structure given in first source; isolated from Arthrinium; inhibits syncytium (giant cell) formation | 2.05 | 1 | 0 | secondary alcohol | |
| alloxanthin alloxanthin: do not confuse with alloxanthine which is a pyrazolopyrimidine; do not confuse with alloxantin which is a barbiturate; structure | 2.11 | 1 | 0 | diterpenoid | |
| phomactin a phomactin A: RN given for (3S-(3R*,4S*,6R*,9E,13R*,14S*,16R*))-isomer; isolated from Phoma; structure in first source | 2.03 | 1 | 0 | ||
| phorboxazole a phorboxazole A: structure in first source | 3.12 | 5 | 0 | ||
| ratjadone ratjadone: structure in first source | 2.04 | 1 | 0 | ||
| papulacandins papulacandins: isolated from Papularia sphaerosperma (Deutermycetes); see also papulacandin B; structures of papulacandins A,C & D in second source. papulacandin : Any of the carbohydrate-containing antibiotic compounds obtained from the deuteromycetous fungus Papularia sphaerosperma and generally consisting of o-orsellinic acid linked via a spirocyclic structure to a lactose moiety with two different side-chains: a shorter fatty-acid chain at the O-(6') position and a longer side-chain at the O-(3) position of the glucose moiety. Papulacandin D, the simplest member of the papulacandin family, lacks the O-(6'-acyl-beta-galactoside) at the O-(4) position of the glucose residue. The papulacandins show potent antifungal activity against Candida albicans, Geotrichum lactis, Saccharomyces cerevisiae, and Pneumocytis carinii, but are inactive against filamentous fungi, bacteria, and protazoa. | 7.7 | 3 | 0 | ||
| oxepins Oxepins: Compounds based on a 7-membered heterocyclic ring including an oxygen. They can be considered a medium ring ether. A natural source is the MONTANOA plant genus. Some dibenzo-dioxepins, called depsidones, are found in GARCINIA plants. | 2.99 | 4 | 0 | ||
| 4-isopropylbenzaldehyde thiosemicarbazone 4-isopropylbenzaldehyde thiosemicarbazone: structure in first source | 2 | 1 | 0 | ||
| daurichromenic acid daurichromenic acid: structure in first source | 2.13 | 1 | 0 | ||
| decarestrictine d decarestrictine D: from Penicillium; structure given in above journal p.66-73 | 2.03 | 1 | 0 | oxacycle | |
| arteannuin b [no description available] | 7.41 | 1 | 0 | ||
| aureothin aureothin: isolated from culture MA-2465; structure. aureothin : A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities. | 2.13 | 1 | 0 | 4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes | antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor |
| androst-16-en-3-one androst-16-en-3-one: boar taint steroid; RN given refers to (5alpha)-isomer. 5alpha-androst-16-en-3-one : An androstanoid that is 5alpha-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,. | 1.99 | 1 | 0 | 3-oxo steroid; androstanoid | mammalian metabolite; pheromone |
| aspidospermidine aspidospermidine: structure in first source | 8.01 | 4 | 0 | Aspidosperma alkaloid; indole alkaloid fundamental parent | |
| morphinans Morphinans: Compounds based on a partially saturated iminoethanophenanthrene, which can be described as ethylimino-bridged benzo-decahydronaphthalenes. They include some of the OPIOIDS found in PAPAVER that are used as ANALGESICS. | 2.77 | 3 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
| androstane androstane: RN given refers to cpd without isomeric designation | 7.08 | 1 | 0 | steroid fundamental parent | |
| ergoline Ergolines: A series of structurally-related alkaloids that contain the ergoline backbone structure.. ergoline : An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors. | 2.75 | 3 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
| sq-23377 Ionomycin: A divalent calcium ionophore that is widely used as a tool to investigate the role of intracellular calcium in cellular processes.. ionomycin : A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes. | 2.02 | 1 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
| fostriecin fostriecin: compound contains a conjugated triene and an unsaturated lactone; from Streptomyces pulveraceus; structure given in second source. fostriecin : A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines. | 2.05 | 1 | 0 | 2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor |
| beta-elemene beta-elemene: increases tumor cell immunogenicity by inducing, at least in part, elevated expression of heat shock protein 70 on tumor cell surface. beta-elemene : A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.. (-)-beta-elemene : The (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. | 2.06 | 1 | 0 | beta-elemene | antineoplastic agent |
| laulimalide laulimalide: isolated from Cacospongia mycofijiensis; structure in first source. laulimalide : A macrolide with formula C30H42O7 that is isolated from the marine sponges, Cacospongia mycofijiensis and Hyattella sp. | 2.02 | 1 | 0 | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent |
| rebaudioside a rebaudioside A: glucoside isolated from the leaves of the paraguayan shrub, Stevia rebaudiana; has taste properties superior to stevioside; structure in first source. rebaudioside A : A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. | 2.54 | 2 | 0 | beta-D-glucoside; rebaudioside; tetracyclic diterpenoid | sweetening agent |
| glycylhistidine glycylhistidine: RN given refers to (L)-isomer. Gly-His : A dipeptide composed of glycine and L-histidine joined by a peptide linkage. | 1.95 | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
| calcitroic acid calcitroic acid: structure. calcitroic acid : A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group. | 2.05 | 1 | 0 | hydroxycalciol | |
| tei 9647 TEI 9647: a 1alpha,25-dihydroxyvitamin D3 antagonist; TEI-9647 is the (23S)-isomer, and TEI-9648 is the (23R)-isomer; structure in first source | 2.03 | 1 | 0 | vitamin D | |
| bacteriochlorin bacteriochlorin: structure in first source. bacteriochlorin : A tetrapyrrole fundamental parent that consists of two pyrrole and two reduced pyrrole units connected by methine linkages, where the two reduced pyrroles are located diagonally opposite one another. | 7.97 | 4 | 0 | ||
| aspidofractinine aspidofractinine: structure in first source | 2.1 | 1 | 0 | indole alkaloid fundamental parent; indole alkaloid | |
| mannich bases Mannich Bases: Ketonic amines prepared from the condensation of a ketone with formaldehyde and ammonia or a primary or secondary amine. A Mannich base can act as the equivalent of an alpha,beta unsaturated ketone in synthesis or can be reduced to form physiologically active amino alcohols. | 2.46 | 2 | 0 | ||
| s-allylcysteine S-allylcysteine: structure in first source; RN given refers to (L)-isomer. S-allylcysteine : An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. | 2.06 | 1 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
| disilver oxide [no description available] | 4.04 | 4 | 0 | ||
| gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. | 2.03 | 1 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
| tris(dibenzylideneacetone)dipalladium tris(dibenzylideneacetone)dipalladium: N-myristoyltransferase-1 inhibitor that is effective against melanoma growth in vitro and in vivo | 2.49 | 2 | 0 | ||
| sacubitril [no description available] | 2.25 | 1 | 0 | biphenyls | |
| pachastrissamine pachastrissamine: a cytotoxic anhydrophytosphingosine from a marine sponge, Pachastrissa sp. ; structure in first source | 2.75 | 3 | 0 | ||
| variolin b variolin B: from Antartic sponge, Kirkpatrickia variolosa; structure in first source | 2.01 | 1 | 0 | ||
| calothrixin b calothrixin B: structure in first source | 7.77 | 3 | 0 | ||
| sincalide Sincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas. | 3.1 | 1 | 0 | oligopeptide | |
| azd9272 AZD9272: an mGluR5 antagonist | 7.08 | 1 | 0 | ||
| pentagastrin Pentagastrin: A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid. | 2.04 | 1 | 0 | organic molecular entity | |
| biln 2061 BILN 2061: a macrocyclic NS3 protease inhibitor and antiviral agent; structure in first source | 2.03 | 1 | 0 | ||
| mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 4.96 | 32 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
| rivaroxaban Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.. rivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery. | 7.55 | 2 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| tert-butyldimethylsilane [no description available] | 2.1 | 1 | 0 | ||
| tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | 4.57 | 1 | 1 | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| calothrixin a calothrixin A: structure in first source | 2.48 | 2 | 0 | ||
| tryprostatin a tryprostatin A: isolated from Aspergillus fumigatus; a mammalian cell cycle inhibitor; structure given in first source. tryprostatin A : A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively. | 2 | 1 | 0 | aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine | breast cancer resistance protein inhibitor |
| zk159222 ZK159222: a 25-carboxylic ester analog of 1alpha-25-dihydroxyvitamin D3; structure in first source | 2.01 | 1 | 0 | vitamin D | |
| zeolites [no description available] | 6.43 | 29 | 0 | ||
| hamigeran b hamigeran B: has antiviral activity; structure in first source | 2.73 | 3 | 0 | ||
| aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories. | 14.47 | 104 | 4 | ||
| hyacinthacine a2 hyacinthacine A2: structure in first source | 2.11 | 1 | 0 | ||
| amarbellisine amarbellisine: structure in first source | 2.08 | 1 | 0 | ||
| fidaxomicin Fidaxomicin: A narrow-spectrum macrolide antibacterial agent that is used in the treatment of diarrhea associated with CLOSTRIDIUM DIFFICILE INFECTION.. fidaxomicin : An 18-membered macrolide that is a fermentation product obtained from the Actinomycete Dactylosporangium aurantiacum. A narrow spectrum antibiotic used for treatment of Clostridium difficile-related infections. | 2.15 | 1 | 0 | ||
| welwitindolinone c isothiocyanate welwitindolinone C isothiocyanate: from blue-green alga Hapalosiphon welwitschii; structure in first source | 2.07 | 1 | 0 | ||
| methionine sulfoxide methionine sulfoxide: RN given refers to cpd without isomeric designation. L-methionine (R)-S-oxide : The (R)-oxido diastereomer of L-methionine S-oxide. | 7.03 | 1 | 0 | amino acid zwitterion; L-methionine S-oxide | Escherichia coli metabolite |
| carquinostatin a carquinostatin A: a neuronal cell-protecting antibiotic from Streptomyces tendae; structure in first source | 7.1 | 1 | 0 | ||
| halichondrin b halichondrin B: from marine sponge Halichondria okadai; binds in the Vinca domain of tubulin | 2.42 | 2 | 0 | furopyran | |
| phosphoramidite phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid. | 3.94 | 12 | 0 | ||
| hyacinthacine a1 hyacinthacine A1: structure in first source | 2.04 | 1 | 0 | ||
| hispolon hispolon: structure given in first source | 7.25 | 1 | 0 | ||
| bryostatin 7 bryostatin 7: structure in first source | 2.05 | 1 | 0 | ||
| 8-azanebularine 8-azanebularine: structure in first source | 7.47 | 2 | 0 | ||
| fluorapatite fluorapatite: RN refers to fluorapatite [Ca5F(PO4)3]). apatite : A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl.. fluorapatite : A phosphate mineral with the formula Ca5(PO4)3F. | 4.4 | 1 | 1 | ||
| epicocconone epicocconone: a fluorescent compound from the fungus epicoccumnigrum; structure in first source. epicocconone : A natural cell-permeable fluorescent compound isolated from the fungus Epicoccum nigrum. | 2.21 | 1 | 0 | organic heterotricyclic compound | fluorochrome |
| martinellic acid martinellic acid: structure in first source | 2.01 | 1 | 0 | ||
| crispine a crispine A: pyrrolo(2,1-a)isoquinoline alkaloid from Carduus crispus; structure in first source | 2.06 | 1 | 0 | ||
| clavicipitic acid clavicipitic acid: ergot alkaloid from Claviceps fusiformis; structure in first source | 4.07 | 4 | 0 | ergot alkaloid | |
| alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection. | 2.04 | 1 | 0 | ||
| akuammicine akuammicine: from Strychnos sp;; structure in first source. akuammicine : A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major. | 2.25 | 1 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | plant metabolite |
| pyranicin pyranicin: structure in first source | 2.02 | 1 | 0 | ||
| aeruginosin 298-a aeruginosin 298-A: structure in first source | 2.52 | 2 | 0 | ||
| luotonin a luotonin A: structure in first source | 7.05 | 1 | 0 | quinazolines | |
| ws-5995 c WS-5995 C: structure in first source | 2 | 1 | 0 | benzenes; naphthalenes; ring assembly | |
| machaeriol b machaeriol B: from the plant Scoparia dulcis; structure in first source | 2.11 | 1 | 0 | ||
| guanacastepene guanacastepene: isolated from an unidentified fungus; structure in first source | 2 | 1 | 0 | ||
| longamide b longamide B: structure in first source | 2.05 | 1 | 0 | ||
| meridianin a meridianin A: structure in first source | 2.1 | 1 | 0 | ||
| sl0101 SL0101: p90 Ribosomal S6 Kinase; structure in first source | 7.44 | 2 | 0 | ||
| pestalotiopsin a pestalotiopsin A: structure in first source | 2.05 | 1 | 0 | ||
| bms 191011 3-((5-chloro-2-hydroxyphenyl)methyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one: a maxi-K channel opener; structure in first source | 2.11 | 1 | 0 | (trifluoromethyl)benzenes | |
| n-methylwelwitindolinone c isothiocyanate N-methylwelwitindolinone C isothiocyanate: isolated from the blue-green alga Hapalosiphon welwitschii; structure given in first source | 2.46 | 2 | 0 | ||
| dibromophakellstatin dibromophakellstatin: from the Indian Ocean sponge, Phakellia mauritiana; structure given in first source | 7.03 | 1 | 0 | ||
| oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms. | 3.6 | 8 | 0 | ||
| bryostatin 16 bryostatin 16: from Bugula neritina; structure given in first source | 2.05 | 1 | 0 | ||
| apicularen a apicularen A: isolated from Chondromyces; structure in first source | 2.45 | 2 | 0 | ||
| aloperine aloperine: RN refers to (7,alpha,9alpha)-isomer; from Sophora alopecuroides; structure given in first source | 2.41 | 1 | 0 | ||
| leucascandrolide a leucascandrolide A: structure in first source | 2.01 | 1 | 0 | ||
| calyciphylline a calyciphylline A: a hexacyclic alkaloid from Daphniphyllum calycinum; structure in first source | 2.02 | 1 | 0 | ||
| brevetoxin b brevetoxin B: from dinoflagellate Gymnodinium breve | 7.11 | 1 | 0 | ciguatoxin | |
| sphingofungin f sphingofungin F: structure given in first source; a serinepalmitoyl transferase inhibitor from Paecilomyces variotii | 2.01 | 1 | 0 | long-chain fatty acid | |
| sporothriolide sporothriolide: a furofurandione; from Sporothrix sp.; structure given in first source. sporothriolide : A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi. | 2 | 1 | 0 | furofuran; gamma-lactone | antifungal agent; fungal metabolite |
| ribose ribopyranose : The pyranose form of ribose. | 7.01 | 1 | 0 | D-ribose; ribopyranose | |
| celogentin c celogentin C: an antimitotic bicyclic peptide from the seeds of Celosia argentea; structure in first source | 2.44 | 2 | 0 | ||
| allocyathin b2 allocyathin B2: structure in first source | 2.43 | 2 | 0 | ||
| macroline macroline: structure in first source | 2.03 | 1 | 0 | ||
| horsfiline horsfiline: structure in first source | 7.44 | 2 | 0 | ||
| amorpha-4,11-diene amorpha-4,11-diene: a precursor to the antimalarial drug artemisinin | 2.31 | 1 | 0 | octahydronaphthalenes; sesquiterpene | |
| norsecurinine norsecurinine: isolated from Phyllanthus niruri; structure given in first source | 2.05 | 1 | 0 | ||
| krp-203 KRP-203: a synthetic immunosuppressant that prolongs graft survival and attenuates chronic rejection in rat skin and heart allografts; structure in first source | 2.07 | 1 | 0 | ||
| sumanene sumanene: structure in first source | 2.06 | 1 | 0 | ||
| barettin barettin: isolated as a Z/E mixture from sponge Geodia barretti; structure in first source | 2.21 | 1 | 0 | organic molecular entity | |
| bielschowskysin bielschowskysin: structure in first source. bielschowskysin : A diterpenoid that is isolated from Pseudopterogorgia kallos and exhibits antimalarial and anticancer activity. | 7.08 | 1 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
| gamendazole gamendazole: Spermatogenesis Blocking Agents; structure in first source. gamendazole : A member of the class of indazoles that is 3-(indazol-3-yl}prop-2-enoic acid carrying additional 2,4-dichlorobenzyl and trifluoromethyl substituents at positions 1 and 6 respectively. An orally active antispermatogenic compound with antifertility effects that is a potential male contraceptive drug. | 7.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound | antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive |
| hyperolactone c hyperolactone C: structure in first source | 2.05 | 1 | 0 | ||
| griseoviridin griseoviridin: produced by Streptomyces griseus | 2.01 | 1 | 0 | ||
| phenylnitrene [no description available] | 2.41 | 1 | 0 | ||
| tedizolid DA 7157: an anti-infective agent; structure in first source. tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. | 2.11 | 1 | 0 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
| rasfonin rasfonin: an apoptosis inhibitor; isolated from Talaromyces; structure in first source | 2.15 | 1 | 0 | ||
| 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene: structure in first source | 2.05 | 1 | 0 | ||
| nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species. | 1.94 | 1 | 0 | nystatins | |
| 5-methyl-2-(3-oxo-1,2,2-trimethylcyclopentyl)benzoquinone 5-methyl-2-(3-oxo-1,2,2-trimethylcyclopentyl)benzoquinone: Highly oxidized cuparene-type sesquiterpenes from a mycelial culture of Flammulina velutipes; structure in first source | 2.05 | 1 | 0 | sesquiterpenoid | |
| rhazinilam rhazinilam: tetracyclic structure comprises phenyl-pyrrole bridged by a nine-membered lactam ring; novel alkaloid isolated from Aspidosperma quebrachoblanco leaves; possesses mild analgesic activity in mice; RN given refers to (8aR-(8aR*,14aR*))-isomer; structure | 3.28 | 6 | 0 | ||
| potassium cyanate potassium cyanate: RN given refers to cpd with MF of K-CHNO | 2.11 | 1 | 0 | cyanate salt; one-carbon compound | herbicide |
| cyclozonarone cyclozonarone: structure in first source | 3.11 | 1 | 0 | ||
| vx 765 belnacasan: a NSAID | 2.04 | 1 | 0 | dipeptide | |
| pauciflorol f pauciflorol F: from the stem bark of Vatica pauciflora; structure in first source | 2.52 | 2 | 0 | ||
| alogliptin alogliptin: structure in first source. alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. | 2.17 | 1 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
| zampanolide zampanolide: structure in first source | 2.04 | 1 | 0 | ||
| welwitindolinone a welwitindolinone A: structure in first source | 2.05 | 1 | 0 | ||
| pyrazolone pyrazolone: non-steroid antirheumatic agent. pyrazolone : A member of the class of pyrazoles in which one of the carbons of the pyrazole ring is substituted by an oxo group. | 7.1 | 1 | 0 | ||
| jiadifenin jiadifenin: seco-prezizaane-type sesquiterpene with neurotrophic activity from Illicium jiadifengpi; structure in first source | 7.45 | 2 | 0 | ||
| anacetrapib [no description available] | 2.31 | 1 | 0 | ||
| marinomycin a marinomycin A: antitumor-antibiotic, isolated from the saline culture of a new group of marine actinomycetes; structure in first source | 2.05 | 1 | 0 | ||
| pyrazolo(1,5-a)pyrimidine pyrazolo(1,5-a)pyrimidine: structure in first source | 2.11 | 1 | 0 | ||
| liphagal liphagal: selective inhibitor of PI3 kinase alpha isolated from the sponge akacoralliphaga; structure in first source. liphagal : A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase. | 7.61 | 2 | 0 | aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite |
| diversonol diversonol: structure in first source | 7.46 | 2 | 0 | phenols; tertiary alcohol | antibacterial agent; metabolite |
| taiwaniaquinol b taiwaniaquinol B: structure in first source | 7.06 | 1 | 0 | ||
| rubriflordilactone a rubriflordilactone A: bisnortriterpenoid from schisandra rubriflora with weak anti-HIV-1 activity; structure in first source | 8 | 4 | 0 | 1-benzopyran | |
| serotobenine serotobenine: isolated from Ouratea turnarea | 7.1 | 1 | 0 | ||
| 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide: structure in first source | 2.17 | 1 | 0 | ||
| vinyl triflate vinyl triflate: structure in first source | 4.76 | 9 | 0 | ||
| streptazolin streptazolin: from culture of Streptomyces sp.; structure in first source | 7.02 | 1 | 0 | ||
| aspidophytine aspidophytine: structure in first source | 3.27 | 1 | 0 | ||
| imidazolone imidazolone: a reaction product of arginine with 3-deoxyglucosone which markedly accumulates in uremic serum; structure in first source | 3.34 | 6 | 0 | organonitrogen heterocyclic compound | |
| pyripyropene a pyripyropene A: from Aspergillus fumigatus FO-1289; structure given in first source. pyripyropene A : A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. | 2.02 | 1 | 0 | organic heterotetracyclic compound; sesquiterpenoid | acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite |
| corannulene corannulene: structure in first source | 2.06 | 1 | 0 | ||
| 4'-thioadenosine 4'-thioadenosine: structure given in first source | 2.04 | 1 | 0 | ||
| aplyronine a aplyronine A: depolymerizes actin; potent antitumor cpd from the sea hare Aplysia kurodai; structure in first source | 2 | 1 | 0 | ||
| 2-(n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose 2-(N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose: fluorescent probe for glucose uptake activity in E coli; structure given in first source | 2.13 | 1 | 0 | ||
| moxestrol moxestrol: RN given refers to (11beta,17alpha)-isomer; structure | 2.15 | 1 | 0 | 3-hydroxy steroid | |
| altinicline maleate altinicline maleate: binds to neuronal nicotinic acetylcholine receptors | 2.06 | 1 | 0 | ||
| cladospolide b cladospolide B: structure in first source | 2.03 | 1 | 0 | ||
| sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages. | 1.96 | 1 | 0 | ||
| indocyanine green Indocyanine Green: A tricarbocyanine dye that is used diagnostically in liver function tests and to determine blood volume and cardiac output. | 3.31 | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
| scopolamine hydrobromide [no description available] | 2.07 | 1 | 0 | ||
| kobusine kobusine: structure in first source | 2.01 | 1 | 0 | ||
| vindoline [no description available] | 7.03 | 1 | 0 | ||
| pituitrin Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR). | 2.03 | 1 | 0 | ||
| iproniazid rhazinal: from the stem extracts of a Malayan Kopsia teoi; displays potent and unusual anti-mitotic property; structure in first source | 2.47 | 2 | 0 | ||
| crinamine crinamine: RN given for (3alpha,5alpha,11R,13beta,19alpha)-isomer; structure in first source | 7.02 | 1 | 0 | ||
| thienopyridine thienopyridine: patients were treated with thienopyridine after percutaneous coronary intervention; Antiplatelet Agents. thienopyridine : Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene. | 2.05 | 1 | 0 | ||
| hexahydroindolinone hexahydroindolinone: structure in first source | 2.02 | 1 | 0 | ||
| sarpagine sarpagine: structure in first source. sarpagine : An indole alkaloid that is sarpagan bearing hydroxy groups at positions 10 and 17. | 2.43 | 2 | 0 | indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound | |
| rifamycins [no description available] | 2.02 | 1 | 0 | ||
| titanocene titanocene: C10-H10-Ti. titanocene : A bis(eta(5)-cyclopentadienyl)metal(II) having Ti(II) as the metal(II) species. The parent of the class of titanonocenes. | 3.61 | 2 | 0 | ||
| 1,4-dihydroquinoline 1,4-dihydroquinoline: structure in first source | 2.13 | 1 | 0 | ||
| acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2. | 8.27 | 6 | 0 | ||
| 3-azabicyclo(3.1.0)hexane 3-azabicyclo(3.1.0)hexane: structure in first source | 2.15 | 1 | 0 | ||
| silver carbonate [no description available] | 2.97 | 4 | 0 | ||
| salvianolic acid c salvianolic acid C: mTOR inhibitor from Salvia miltiorrhiza | 2.11 | 1 | 0 | benzofurans | |
| discodermolide discodermolide: a lactone-bearing polyhydroxylated alkatetraene from the marine sponge Discodermia dissoluta; microtubule-stabilizing agent like taxol | 2 | 1 | 0 | ||
| dragmacidin d dragmacidin D: structure in first source | 2.74 | 3 | 0 | ||
| phenylglycinamide [no description available] | 2.05 | 1 | 0 | ||
| tangutorine tangutorine: isolated from Nitraria tangutorum; structure in first source | 2.05 | 1 | 0 | ||
| aflatoxin m1 Aflatoxin M1: A 4-hydroxylated metabolite of AFLATOXIN B1, one of the MYCOTOXINS from ASPERGILLUS tainted food. It is associated with LIVER damage and cancer resulting from its P450 activation to the epoxide which alkylates DNA. Toxicity depends on the balance of liver enzymes that activate it (CYTOCHROME P-450) and others that detoxify it (GLUTATHIONE S TRANSFERASE) (Pharmac Ther 50.443 1991). Primates & rat are sensitive while mouse and hamster are tolerant (Canc Res 29.236 1969).. aflatoxin M1 : A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group. | 7.15 | 1 | 0 | aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol | Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite |
| zinc silicate zinc silicate: RN given refers to Zn[1:2] salt | 7.17 | 1 | 0 | ||
| homopropargylglycine homopropargylglycine: structure in first source | 2.78 | 3 | 0 | ||
| hinckdentine a hinckdentine A: structurally unique marine alkaloid containing an 11b,12,13,14,15,16-hexahydroazepino[4',5':2,3] indolo[1,2-c]quinazoline ring system; structure in first source | 2.13 | 1 | 0 | ||
| nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 3.89 | 12 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
| aspergillazine a aspergillazine A: structure in first source | 2.1 | 1 | 0 | ||
| gsk 1034702 GSK 1034702: structure in first source | 2.1 | 1 | 0 | ||
| cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV. | 3.3 | 6 | 0 | ||
| gw 4869 GW 4869: inhibits neutral sphingomyelinase; structure in first source | 2.31 | 1 | 0 | ||
| neopeltolide neopeltolide: a macrolide from a lithistid sponge of the family Neopeltidae; structure in first source | 2.07 | 1 | 0 | ||
| cholecystokinin Cholecystokinin: A peptide, of about 33 amino acids, secreted by the upper INTESTINAL MUCOSA and also found in the central nervous system. It causes gallbladder contraction, release of pancreatic exocrine (or digestive) enzymes, and affects other gastrointestinal functions. Cholecystokinin may be the mediator of satiety. | 3.1 | 1 | 0 | ||
| gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN. | 2.47 | 2 | 0 | ||
| tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing. | 3.42 | 7 | 0 | ||
| oligonucleotides [no description available] | 5.65 | 23 | 0 | ||
| complestatin complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding. isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.. chloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | 2.45 | 2 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
| ge 2270 a GE 2270 A: from Planobispora rosea; inhibits bacterial protein synthesis in vitro by affecting specifically the GTP-bound form of elongation factor Tu; structure given in first source | 2.17 | 1 | 0 | ||
| cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 4.88 | 32 | 0 | glycoside | |
| perovskite calcium titanate : A calcium salt with the formula CaTiO3, generally obtained in the form of the mineral perovskite. | 4.77 | 5 | 0 | ||
| phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 3.1 | 5 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. | 2.7 | 3 | 0 | chlorophyll; methyl ester | cofactor |
| archazolid a archazolid A: inhibits vacuolar-type ATPase; isolated from Archangium gephyra; structure in first source | 2.04 | 1 | 0 | ||
| phenylmercuric acetate Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide. | 2.04 | 1 | 0 | arylmercury compound; benzenes | |
| vendex Torque: The rotational force about an axis that is equal to the product of a force times the distance from the axis where the force is applied. | 5.5 | 15 | 1 | organotin acaricide | |
| thimerosal Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.. thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. | 2.04 | 1 | 0 | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
| bi(otf)3 Bi(OTf)3: structure in first source | 2.06 | 1 | 0 | ||
| thallusin thallusin: a highly potent differentiation inducer from the epiphytic marine bacterium strain from Monostroma sp.; stucture in first source | 2.03 | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
| uk 453,061 UK 453,061: a reverse transcriptase inhibitor/anti-HIV agent; structure in first source | 2.11 | 1 | 0 | aromatic ether | |
| platencin platencin: inhibits both FabF and FabH; structure in first source. platencin : A monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the polycyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. | 2.05 | 1 | 0 | aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
| phthioceranic acid phthioceranic acid: a heptamethyl-branched acid from Mycobacterium tuberculosis; structure in first source | 2.11 | 1 | 0 | ||
| archazolid b archazolid B: structure in first source | 2.04 | 1 | 0 | macrolide | |
| sphingosine kinase [no description available] | 3.35 | 1 | 0 | ||
| ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 1.94 | 1 | 0 | ||
| palmerolide a palmerolide A: isolated from the antarctic marine tunicate Synoicum adareanum; structure in first source | 7.47 | 2 | 0 | ||
| 1,2-azaborine 1,2-azaborine: structure in first source | 2.1 | 1 | 0 | ||
| aminoindanol aminoindanol: structure in first source | 2.07 | 1 | 0 | ||
| drupacine drupacine: isomer of 11-hydroxycephalotaxine; structure | 2.03 | 1 | 0 | ||
| pyrazolopyridine pyrazolopyridine: act as competitive antagonists of brain adenosine A1 receptors | 2.06 | 1 | 0 | ||
| monanchorin monanchorin: a bicyclic alkaloid from the sponge Monanchora ungiculata; structure in first source | 2.11 | 1 | 0 | ||
| chitosan [no description available] | 8.21 | 72 | 1 | ||
| 9-borabicyclononane 9-borabicyclononane: an amino acid protecting group | 2.43 | 2 | 0 | ||
| dihydroazulene dihydroazulene: structure in first source | 2.1 | 1 | 0 | ||
| perylenequinone perylenequinone: structure in first source | 2.46 | 2 | 0 | ||
| tris(pyrazolyl)borate tris(pyrazolyl)borate: structure in first source | 2.25 | 1 | 0 | ||
| potassium borohydride [no description available] | 2.01 | 1 | 0 | ||
| chamobtusin a chamobtusin A: from Chamaecyparis obtusa cv. tetragon; structure in first source | 2.07 | 1 | 0 | ||
| mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE. | 2.47 | 2 | 0 | organosulfonic acid | |
| tert-butoxide, potassium [no description available] | 2.95 | 4 | 0 | ||
| lithium niobate [no description available] | 2.05 | 1 | 0 | ||
| 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. | 2.08 | 1 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
| sodium lactate Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer.. sodium lactate : An organic sodium salt having lactate as the counterion. | 2.01 | 1 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
| tropaeolin oo tropaeolin OO: RN given refers to parent cpd; structure | 2.41 | 1 | 0 | ||
| methyl orange methyl orange: indictor of pH with strong acids & bases; also used as reagent to form ion pairs with, and thereby isolate, certain compounds from biological material; minor descriptor (75-86); on-line & INDEX MEDICUS search AZO COMPOUNDS (75-86); file maintained to Azo cpds | 3.63 | 8 | 0 | ||
| sodium hypophosphite sodium hypophosphite: RN given refers to phosphinic acid, Na salt; structure | 8.11 | 5 | 0 | ||
| sodium glutamate Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid. | 4.57 | 1 | 1 | monosodium glutamate | flavouring agent |
| ro13-9904 Ceftriaxone: A broad-spectrum cephalosporin antibiotic and cefotaxime derivative with a very long half-life and high penetrability to meninges, eyes and inner ears.. ceftriaxone : A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. | 2.48 | 2 | 0 | ||
| sodium tetraethylborate [no description available] | 2.05 | 1 | 0 | ||
| chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses. | 2.55 | 2 | 0 | ||
| borrelidin treponemycin: isolated from Streptomyces albovinaceous; active against Treponema hyodysenteriae. borrelidin : A macrolide that is isolated from several Streptomyces species and displays antibiotic, antineoplastic and antimalarial properties. | 2.02 | 1 | 0 | aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol | antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite |
| echinomycin Echinomycin: A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis. | 1.97 | 1 | 0 | cyclodepsipeptide | |
| olaparib [no description available] | 2.11 | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| meriolin 3 meriolin 3: a cell death-inducing kinase inhibitor; structure in first source | 2.1 | 1 | 0 | ||
| hygromycin b [no description available] | 2.41 | 2 | 0 | ||
| rubusoside rubusoside: from RUBUS. rubusoside : A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding beta-D-glucosides. A precious bioactive natural sweetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. | 2.07 | 1 | 0 | beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid | plant metabolite; sweetening agent |
| communesin f communesin F: structure in first source | 2.21 | 1 | 0 | ||
| 1-methoxyerythrabyssin ii 1-methoxyerythrabyssin II: from the bark of Erythrina subumbrans; structure in first source | 2.1 | 1 | 0 | ||
| mk-7009 vaniprevir: inhibits hepatitis C virus NS3/4a protease. vaniprevir : An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan. | 2.06 | 1 | 0 | azamacrocycle; carbamate ester; cyclopropanes; N-sulfonylcarboxamide; pyrrolidinecarboxamide | antiviral drug; hepatitis C protease inhibitor |
| goniomitine goniomitine: from root bark of Gonioma malagasy; structure in first source | 7.78 | 3 | 0 | monoterpenoid indole alkaloid | |
| lde225 sonidegib: specific Smoothened/Smo antagonist. sonidegib : A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. | 2.1 | 1 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
| arabinogalactan [no description available] | 2.08 | 1 | 0 | ||
| sgi-1027 SGI-1027: inhibits DNA methyltransferase 1; structure in first source | 2.08 | 1 | 0 | ||
| zoanthenol zoanthenol: structure in first source | 2.01 | 1 | 0 | ||
| suvorexant suvorexant: an orexin receptor antagonist; structure in first source. suvorexant : An aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia. | 2.21 | 1 | 0 | 1,3-benzoxazoles; aromatic amide; diazepine; organochlorine compound; triazoles | central nervous system depressant; orexin receptor antagonist |
| egg white Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed) | 2.08 | 1 | 0 | ||
| crisamicin a crisamicin A: from Micromonospora purpureochromogenes | 2.04 | 1 | 0 | ||
| 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available] | 4.26 | 16 | 0 | BODIPY compound | |
| neurotensin neurotensin, Tyr(11)-: RN given refers to parent cpd & (D)-isomer; RN for cpd without isomeric designation not avail 5/91 | 2.04 | 1 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
| salvileucalin b salvileucalin B: isolated from Salvia leucantha Cav.(Labiatae); structure in first source. salvileucalin B : A diterpenoid with a rearranged neo-clerodane skeleton isolated from Salvia leucantha and has been shown exhibit antineoplastic activity. | 2.06 | 1 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
| etnangien etnangien: a macrolide-polyene antibiotic from Sorangium cellulosum that inhibits nucleic acid polymerases; structure in first source. etnangien : A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. | 2.07 | 1 | 0 | hydroxy monocarboxylic acid; macrolide antibiotic | antibacterial agent; metabolite |
| jnj-31020028 [no description available] | 2.11 | 1 | 0 | ||
| tolterodine tartrate Tolterodine Tartrate: An ANTIMUSCARINIC AGENT selective for the MUSCARINIC RECEPTORS of the BLADDER that is used in the treatment of URINARY INCONTINENCE and URINARY URGE INCONTINENCE. | 2.07 | 1 | 0 | tartrate salt | |
| mannans [no description available] | 2.21 | 1 | 0 | ||
| brevisamide brevisamide: isolated from Karenia brevis; structure in first source | 7.06 | 1 | 0 | ||
| nitrogenase Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1. | 2.03 | 1 | 0 | ||
| enfumafungin enfumafungin: from endophytic Hormonema species; structure in first source. enfumafungin : A triterpene glycoside and hemiacetal isolated from a fermentation of Hormonema sp. and which specifically inhibits glucan synthesis in fungal cells. | 2.07 | 1 | 0 | lactol; monosaccharide derivative; triterpenoid saponin | antifungal agent |
| dalesconol a dalesconol A: from a culture of Daldinia eschsholzii IFB-TL01 residing inside the gut of the mantis species Tenodora aridifolia; structure in first source | 2.31 | 1 | 0 | ||
| plx4032 [no description available] | 2.13 | 1 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
| cuspareine cuspareine: from Galipea officinalis; structure in first source | 2.17 | 1 | 0 | ||
| glycolipids [no description available] | 4.61 | 7 | 0 | ||
| cinerin c cinerin C: isolated from Pleurothyrium cinereum; structure in first source | 2.05 | 1 | 0 | ||
| piperidines Piperidines: A family of hexahydropyridines. | 7.66 | 44 | 1 | ||
| bryostatin 1 bryostatin 1: a protein kinase C activator; macrocyclic lactone from marine Bryozoan Bugula neritina; RN given refers to (1S*-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-isomer; structure given in first source; activates protein kinase c. bryostatin 1 : A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. | 3.15 | 5 | 0 | ||
| interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells. | 2.75 | 3 | 0 | ||
| sansalvamide a sansalvamide A: a cyclic depsipeptide; inhibits poxvirus topoisomerase; structure in first source | 2.01 | 1 | 0 | ||
| jiadifenolide jiadifenolide: from Illicium jiadifengpi; structure in first source | 2.06 | 1 | 0 | ||
| transtaganolide d transtaganolide D: structure in first source | 2.1 | 1 | 0 | ||
| taiwaniaquinone h taiwaniaquinone H: structure in first source | 7.48 | 2 | 0 | ||
| fosinopril Fosinopril: A phosphinic acid-containing angiotensin-converting enzyme inhibitor that is effective in the treatment of hypertension. It is a prodrug that is converted to its active metabolite fosinoprilat.. fosinopril : A phosphinate ester-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. It is used for the treatment of hypertension and heart failure. A pro-drug, it is hydrolysed in vivo to the corresponding phosphininc acid, fosinoprilat, which is the active metabolite. | 6.98 | 1 | 0 | ||
| cinerin a cinerin A: isolated from Pleurothyrium cinereum; structure in first source | 2.05 | 1 | 0 | ||
| kavain kavain: RN given refers to cpd without isomeric designation; see also kavaform; structure | 2.02 | 1 | 0 | 2-pyranones; aromatic ether | |
| cyanolide a cyanolide A: molluscicidal from the Papua New Guinea cyanobacterium Lyngbya bouillonii; structure in first source | 2.06 | 1 | 0 | ||
| licochalcone e licochalcone E: from roots of Glycyrrhiza inflata; structure in first source | 2.47 | 2 | 0 | ||
| glpg0634 [no description available] | 4.57 | 1 | 1 | ||
| tubastatin a [no description available] | 2.15 | 1 | 0 | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
| bms-911543 N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | 2.21 | 1 | 0 | ||
| methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative. | 2.7 | 3 | 0 | ||
| isoquercitrin [no description available] | 7.15 | 1 | 0 | ||
| marinoquinoline a marinoquinoline A: pyrroloquinoline from Ohtaekwangia kribbensis (Bacteroidetes); showed weak antibacterial and antifungal activities and moderate cytotoxicity against four growing mammalian cell lines; structure in first source. marinoquinoline A : A pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by a methyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis and Rapidithrix thailandica. | 2.07 | 1 | 0 | pyrroloquinoline | bacterial metabolite |
| natriuretic peptide, brain Natriuretic Peptide, Brain: A PEPTIDE that is secreted by the BRAIN and the HEART ATRIA, stored mainly in cardiac ventricular MYOCARDIUM. It can cause NATRIURESIS; DIURESIS; VASODILATION; and inhibits secretion of RENIN and ALDOSTERONE. It improves heart function. It contains 32 AMINO ACIDS. | 2.21 | 1 | 0 | polypeptide | |
| heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 3.08 | 5 | 0 | ||
| lysocin e lysocin E: isolated from Lysobacter; structure in first source | 2.11 | 1 | 0 | ||
| aza-pinacol aza-pinacol: structure in first source | 2.1 | 1 | 0 | ||
| norbornene anhydride [no description available] | 2.07 | 1 | 0 | ||
| ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 6.17 | 39 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| 4-hydroxy-6-methyl-2-pyrone 4-hydroxy-6-methyl-2-pyrone: structure in first source | 2.11 | 1 | 0 | 2-pyranones | |
| tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. | 4.04 | 4 | 0 | ||
| oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. | 2.6 | 1 | 0 | ||
| salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 4.67 | 8 | 0 | monohydroxybenzoate | plant metabolite |
| warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 11.67 | 65 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
| ascorbate-2-phosphate ascorbate-2-phosphate: inhibitor of ascorbate-2-sulfate sulfohydrolase from bovine liver. L-ascorbic acid 2-phosphate : An aldonolactone phosphate that is the 2-phosphate ester of L-ascorbic acid. It can stimulate collagen formation. | 2.25 | 1 | 0 | aldonolactone phosphate | |
| tipranavir tipranavir: inhibits HIV-1 protease. tipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. | 7.01 | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
| tetramic acid tetramic acid : A gamma-lactam that is 1,3-dihydro-2H-pyrrol-2-one in which the hydrogen at position 4 has been replaced by a hydroxy group. Despite its simple structure, it was not synthesised until 1972; earlier attempts were later shown to have resulted only in the formation of the isomer 5-imino-4,5-dihydrofuran-3-ol. | 7.05 | 1 | 0 | ||
| vulpinic acid vulpinic acid: RN given refers to cpd without isomeric designation; structure given in first source; vulpinic acid refers to (E)-isomer | 2.02 | 1 | 0 | butenolide | |
| aflastatin a aflastatin A: inhibitor of aflatoxin production by aflatoxigenic fungi; from Streptomyces sp.; structure given in first source | 2.06 | 1 | 0 | ||
| 2,4-dihydroxypyridine [no description available] | 2.1 | 1 | 0 | pyridone | |
| abt-333 dasabuvir: an antiviral agent. dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. | 2.21 | 1 | 0 | aromatic ether; naphthalenes; pyrimidone; sulfonamide | antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor |
| kaolinite Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products. | 2.94 | 3 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
| clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter. | 8.48 | 7 | 0 | ||
| bismuth oxybromide bismuth oxybromide: bismuth oxybromide (BiOBr) nanoplate microspheres were used to remove NO in indoor air under visible light irradiation | 7.41 | 1 | 0 | ||
| transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins. | 2.42 | 2 | 0 | ||
| deleobuvir deleobuvir: a hepatitis C virus polymerase inhibitor | 2.1 | 1 | 0 | ||
| indenoindole indenoindole: structure given in first source | 2.08 | 1 | 0 | ||
| brine brine: not from seawater; contains sodium chloride; calcium chloride; magnesium chloride; one or all of the above | 2.08 | 1 | 0 | ||
| soda lime soda lime: a mixture of calcium oxide (lime) with 5-20% sodium hydroxide and 6-18% water; carbon dioxide adsorbant | 2.06 | 1 | 0 | ||
| aspergillide a aspergillide A: cytotoxic 14-membered macrolide from marine-derived fungus Aspergillus ostianus strain 01F313; structure in first source. aspergillide A : A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). | 7.08 | 1 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
| promegestone biyouyanagin A: an anti-HIV agent from Hypericum chinense L. var. salicifolium; structure in first source | 2.05 | 1 | 0 | terpene lactone | metabolite |
| lancifodilactone g lancifodilactone G: nortriterpenoid possessing anti-HIV activity from Schisandra lancifolia; structure in first source. lancifodilactone G : A triterpenoid that is a nortriterpenoid isolated from Schisandra lancifolia and has been shown to exhibit anti-HIV activity. | 7.04 | 1 | 0 | cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid | anti-HIV agent; metabolite |
| rome Rome: The capital city of Italy.. (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol : A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor. | 7.44 | 2 | 0 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
| maitotoxin [no description available] | 2.1 | 1 | 0 | ||
| agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties. | 7.66 | 3 | 0 | ||
| alcohol oxidase [no description available] | 2.25 | 1 | 0 | ||
| caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones. | 2.67 | 3 | 0 | ||
| tetracarboxyphenylporphine [no description available] | 2.54 | 2 | 0 | ||
| phthalocyanine phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. | 3.55 | 8 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
| tetraphenylporphine tetraphenylporphyrin: structure in first source | 3.55 | 8 | 0 | ||
| nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents. | 5.26 | 46 | 0 | ||
| aqua regia aqua regia: mixture of hydrochloric & nitric acids | 2.97 | 4 | 0 | ||
| angiotensin i Angiotensin I: A decapeptide that is cleaved from precursor angiotensinogen by RENIN. Angiotensin I has limited biological activity. It is converted to angiotensin II, a potent vasoconstrictor, after the removal of two amino acids at the C-terminal by ANGIOTENSIN CONVERTING ENZYME.. angiotensin I : A ten amino acid peptide formed by renin cleavage of angiotensinogen. Angiotensin I has no direct biological function except that high levels can stimulate catecholamine production. It is metabolized to its biologically active byproduct angiotensin II, a potent vasoconstrictor, by angiotensin converting enzyme (ACE) through cleavage of the two terminal amino acids.. angiotensin I dizwitterion : A peptide zwitterion that is the dizwitterionic form of angiotensin I having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3. | 1.96 | 1 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
| mannopeptimycin mannopeptimycin: structure in first source | 2.03 | 1 | 0 | ||
| pladienolide b pladienolide B: structure in first source | 2.08 | 1 | 0 | ||
| feldspar feldspar: structure | 7.03 | 8 | 4 | ||
| lithospermic acid lithospermic acid: isolated from Lithospermum ruderale | 2.47 | 2 | 0 | ||
| diospyros Diospyros: A plant genus of the family EBENACEAE, order Ebenales, subclass Dilleniidae, class Magnoliopsida best known for the edible fruit and the antibacterial activity and compounds of the wood. | 2.11 | 1 | 0 | ||
| ripostatin a ripostatin A: an inhibitor of eubacterial RNA polymerase; a macrocyclic lactone carbonic acid; isolated from Sorangium cellulosum; structure given in first source | 2.08 | 1 | 0 | ||
| mesembrine [no description available] | 7.05 | 1 | 0 | ||
| mycolactone b mycolactone B: from Mycobacterium ulcerans; structure in first source | 2.47 | 2 | 0 | ||
| yuremamine Yuremamine: from the stem bark of Mimosa tenuiflora; structure in first source | 2.13 | 1 | 0 | ||
| fusarisetin a fusarisetin A: from soil fungus, Fusarium sp. FN080326; structure in first source | 2.07 | 1 | 0 | ||
| aldrin Aldrin: A highly poisonous substance that was formerly used as an insecticide. The manufacture and use has been discontinued in the U.S. (From Merck Index, 11th ed). aldrin : An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. | 2.21 | 1 | 0 | ||
| magnesium hydroxide hodgkinsine: structure given in first source; isolated from the tropical plant Psychotria oleoides | 2.47 | 2 | 0 | ||
| vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12. | 3.24 | 6 | 0 | ||
| lysergic acid lysergic acid : An ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. | 2.46 | 2 | 0 | ||
| rifamycin s rifamycin S: structure | 2.02 | 1 | 0 | ||
| insulin, 3-iodo-tyr(a14)- insulin, 3-iodo-Tyr(A14)-: used with (125)I for receptor assay | 1.97 | 1 | 0 | ||
| dodecaborate dodecaborate: RN given for disodium salt; structure in first source | 2.04 | 1 | 0 | ||
| cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed). | 2.11 | 1 | 0 | ||
| orabase Orabase: used in therapy of oral mucosal ulcers | 4.12 | 14 | 0 | ||
| technetium tc 99m medronate Technetium Tc 99m Medronate: A gamma-emitting radionuclide imaging agent used primarily in skeletal scintigraphy. Because of its absorption by a variety of tumors, it is useful for the detection of neoplasms. | 2 | 1 | 0 | ||
| thromboplastin Thromboplastin: Constituent composed of protein and phospholipid that is widely distributed in many tissues. It serves as a cofactor with factor VIIa to activate factor X in the extrinsic pathway of blood coagulation. | 2.01 | 1 | 0 | ||
| muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 3.26 | 6 | 0 | ||
| iminoquinone iminoquinone: an electrophile; structure in first source | 2.1 | 1 | 0 | ||
| all-bond 2 All-Bond 2: a 2-component primer system; primer A contains 2% sodium salt of N-p-tolylglycineglycidyl methacrylate | 2.08 | 1 | 0 | ||
| lundurine a lundurine A: originally isolated from Kopsia tenuis; structure in first source | 2.1 | 1 | 0 | monoterpenoid indole alkaloid | |
| dodecyl polyoxyethylene sulfuric acid, sodium salt sodium laureth sulfate: do not confuse with sodium lauryl sulfate, which is also known by this name | 2.17 | 1 | 0 | ||
| tetra(4-n-methylpyridyl)porphine tetra(4-N-methylpyridyl)porphine: structure in first source | 2.11 | 1 | 0 | ||
| acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. | 2.96 | 4 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
| can 508 CAN 508: has antiangiogenic activity; structure in first source. CAN-508 : A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. | 2.17 | 1 | 0 | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| deoxyguanosine [no description available] | 3.89 | 12 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| dihydrofolate dihydrofolic acid : A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis. | 2.03 | 1 | 0 | dihydrofolic acids | Escherichia coli metabolite; mouse metabolite |
| guanosine diphosphate Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. | 2.41 | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
| guanosine monophosphate Guanosine Monophosphate: A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature.. guanosine 5'-monophosphate : A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase. | 3.52 | 8 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
| guanine [no description available] | 3.66 | 9 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose. | 3.89 | 12 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
| hypoxanthine [no description available] | 2.21 | 1 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
| inosinic acid Inosine Monophosphate: Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. | 1.97 | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| inosine [no description available] | 3.15 | 5 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | 8.52 | 8 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer | 2.31 | 1 | 0 | ||
| rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160) | 2.31 | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
| didanosine Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.. didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS. | 2.07 | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
| pralidoxime pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80). pralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2. | 2.38 | 2 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
| 2-methyl-4(3h)-quinazolinone 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source | 2.08 | 1 | 0 | ||
| allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 2.4 | 2 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin [no description available] | 2.07 | 1 | 0 | ||
| diazeniumdiolate diazeniumdiolate: a class of nitric oxide (NO) donors; structure in first source. 1,1-diethyl-2-hydroxy-3-oxotriazane : A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two ethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. | 2.17 | 1 | 0 | ||
| 7-deazaguanine [no description available] | 2.02 | 1 | 0 | organic molecular entity | |
| 9-methylhypoxanthine 9-methylhypoxanthine: structure in first source. 9-methylhypoxanthine : A methylhypoxanthine that is hypoxanthine with the methyl group at position 9. | 7.46 | 2 | 0 | methylhypoxanthine | |
| furildioxime furildioxime: chelating agent for nickel analysis | 2.08 | 1 | 0 | ||
| sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil. | 2.72 | 3 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
| 9-ethylguanine [no description available] | 2.03 | 1 | 0 | ||
| 6-hydroxymethylpterin [no description available] | 2.03 | 1 | 0 | ||
| dimethylglyoxime dimethylglyoxime: RN given refers to parent cpd | 2.5 | 2 | 0 | ||
| trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). | 2.05 | 1 | 0 | ||
| pyridine-2-aldoxime pyridine-2-aldoxime: RN given refers to parent cpd | 2.02 | 1 | 0 | ||
| salicylaldehyde thiosemicarbazone salicylaldehyde thiosemicarbazone: structure given in first source | 2.07 | 1 | 0 | ||
| nsc 614846 carbovir: structure given in first source; potent & selective anti-HIV agent. carbovir : Cyclopent-2-en-1-ylmethanol in which the 4-position is substituted by a 2-amino-6-hydroxy-9H-purin-9-yl group such that the two substitutents on the cyclopentene ring are in a cis relationship. The (-)-enantiomer, also known as carbovir, is a potent inhibitor of HIV replication replication in cell cultures.. (-)-carbovir : The (active) (-)-enantiomer of the carbocyclic analogue of 2',3'-dideoxy-2',3'-didehydroguanosine. | 2.43 | 2 | 0 | carbovir | HIV-1 reverse transcriptase inhibitor |
| 8-bromo-2'-deoxyguanosine 8-bromo-2'-deoxyguanosine: structure in first source. 8-bromo-2'-deoxyguanosine : An organobromine compound comprising 2'-deoxyguanosine having a bromo substituent at position 8 of the guanine ring system. | 2.5 | 2 | 0 | guanosines; organobromine compound | |
| 8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage. | 2.03 | 1 | 0 | guanosines | biomarker |
| 2-naphthol orange 2-naphthol orange: structure; see also record for C.I. Solvent Orange 2 | 2.25 | 1 | 0 | ||
| streptovaricin c streptovaricin C: structure given in first source | 1.95 | 1 | 0 | ||
| 8-bromoguanosine [no description available] | 2.44 | 2 | 0 | purine nucleoside | |
| scytonemin scytonemin: an ultraviolet sunscreen pigment from the sheaths of cyanobacteria; structure given in first source. scytonemin : A ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria. | 2.11 | 1 | 0 | enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly | bacterial metabolite; biological pigment; ultraviolet filter |
| dragmacidin e dragmacidin E: from Spongosorites sp.; structure in first source | 2.15 | 1 | 0 | ||
| deoxyguanylyl-(3'-5')-guanosine deoxyguanylyl-(3'-5')-guanosine: RN given refers to parent cpd | 2.07 | 1 | 0 | ||
| siphonodictyal b1 siphonodictyal B1: isolated from Siphonodictyon coralliphagum; structure in first source | 2.17 | 1 | 0 | ||
| eye [no description available] | 4.74 | 9 | 0 | ||
| chaetomanone chaetomanone: antimycobacterial anthraquinone-chromanone compound from the fungus Chaetomium globosum KMITL-N0802; structure in first source | 2.03 | 1 | 0 | ||
| ferroquine ferroquine: an antimalarial agent; structure in first source | 3.35 | 1 | 0 | ||
| oocydin a oocydin A: isolated from Serratia marcescens; structure in first source | 2.44 | 2 | 0 | ||
| galiellalactone galiellalactone: structure in first source | 2.05 | 1 | 0 | ||
| concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures. | 2.46 | 2 | 0 | ||
| metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals. | 2.95 | 4 | 0 | ||
| phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes. | 3.36 | 7 | 0 | ||
| thrombin aptamer thrombin aptamer: nucleotide sequence given in first source; a synthetic polynucleotide | 2.49 | 2 | 0 | ||
| pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O. | 3.68 | 9 | 0 | ||
| merrilactone a merrilactone A: structure in first source | 2.02 | 1 | 0 | ||
| chloropeptin i chloropeptin I: inhibitor of gp120-CD4 binding; isolated from Streptomyces; structure in first source. chloropeptin I : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C7 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | 2.03 | 1 | 0 | ||
| mersacidin mersacidin: a globular type B lantibiotic; peptide isolated form a Bacillus species. mersacidin : A type-B lantibiotic containing 3-methyllanthionine and S-(2-aminovinyl)-3-methylcysteine residues and four intra-chain thioether bridges. It is obtained from Bacillus sp. HIL Y-85,54728 and is active in vivo against methicillin-resistant Staphylococcus aureus (MRSA). | 2.07 | 1 | 0 | ||
| callipeltoside a callipeltoside A: isolated from the sponge Callipelta; structure in first source | 2 | 1 | 0 | ||
| viridinomycin viridinomycin: crystalline antibiotic isolated from culture broth of Streptomyces viridochromogenes strain no. T-24146 | 2.01 | 1 | 0 | ||
| 6-methylpurine riboside 6-methylpurine riboside: cpd not in Chemline 6/30/83 | 2.01 | 1 | 0 | ||
| 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. | 4.7 | 27 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Cells, Neoplasm Circulating [description not available] | 0 | 3.11 | 4 | 0 |
| Acute Confusional Senile Dementia [description not available] | 0 | 4.14 | 13 | 0 |
| Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57) | 0 | 4.14 | 13 | 0 |
| Experimental Neoplasms [description not available] | 0 | 5.44 | 24 | 0 |
| Allodynia [description not available] | 0 | 2.66 | 2 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 3.18 | 5 | 0 |
| Nerve Pain [description not available] | 0 | 2.31 | 1 | 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 | 3.18 | 5 | 0 |
| Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve. | 0 | 2.31 | 1 | 0 |
| Anoxemia [description not available] | 0 | 3.28 | 6 | 0 |
| Benign Neoplasms [description not available] | 0 | 9.19 | 126 | 0 |
| Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms. | 0 | 3.28 | 6 | 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 | 9.19 | 126 | 0 |
| Malignant Melanoma [description not available] | 0 | 18.26 | 75 | 23 |
| Pallor A clinical manifestation consisting of an unnatural paleness of the skin. | 0 | 2.6 | 1 | 0 |
| Intraocular Pressure The pressure of the fluids in the eye. | 0 | 3 | 4 | 0 |
| Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445) | 0 | 13.26 | 75 | 23 |
| Cancer of Prostate [description not available] | 0 | 19.76 | 320 | 51 |
| Prostatic Neoplasms Tumors or cancer of the PROSTATE. | 0 | 19.76 | 320 | 51 |
| Breast Cancer [description not available] | 0 | 13.7 | 74 | 11 |
| Breast Neoplasms Tumors or cancer of the human BREAST. | 0 | 13.7 | 74 | 11 |
| Infection, Wound [description not available] | 0 | 2.4 | 2 | 0 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 9.31 | 20 | 4 |
| Allergy, Drug [description not available] | 0 | 4.17 | 6 | 0 |
| Drug Hypersensitivity Immunologically mediated adverse reactions to medicinal substances used legally or illegally. | 0 | 4.17 | 6 | 0 |
| Experimental Mammary Neoplasms [description not available] | 0 | 2.92 | 4 | 0 |
| ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available] | 0 | 3.86 | 3 | 0 |
| Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN. | 0 | 3.86 | 3 | 0 |
| Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN. | 0 | 7.41 | 1 | 0 |
| Alloxan Diabetes [description not available] | 0 | 2.82 | 3 | 0 |
| Cancer of Eye [description not available] | 0 | 4.13 | 15 | 0 |
| Cancer of Lung [description not available] | 0 | 3.93 | 12 | 0 |
| Lung Neoplasms Tumors or cancer of the LUNG. | 0 | 3.93 | 12 | 0 |
| Blood Pressure, High [description not available] | 0 | 3.46 | 2 | 0 |
| Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more. | 0 | 3.46 | 2 | 0 |
| Johne Disease [description not available] | 0 | 2.41 | 1 | 0 |
| Adenoma, Prostatic [description not available] | 0 | 2.41 | 1 | 0 |
| Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both. | 0 | 2.41 | 1 | 0 |
| Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms. | 0 | 2.92 | 4 | 0 |
| Infections, Staphylococcal [description not available] | 0 | 3.03 | 4 | 0 |
| Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS. | 0 | 3.03 | 4 | 0 |
| Encephalopathy, Traumatic [description not available] | 0 | 5.64 | 3 | 1 |
| Acute Brain Injuries [description not available] | 0 | 2.41 | 1 | 0 |
| Brain Injuries, Traumatic A form of acquired brain injury which occurs when a sudden trauma causes damage to the brain. | 0 | 5.64 | 3 | 1 |
| Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits. | 0 | 2.41 | 1 | 0 |
| Bed Sores [description not available] | 0 | 2.31 | 1 | 0 |
| Ache [description not available] | 0 | 2.58 | 2 | 0 |
| Pressure Ulcer An ulceration caused by prolonged pressure on the SKIN and TISSUES when one stays in one position for a long period of time, such as lying in bed. The bony areas of the body are the most frequently affected sites which become ischemic (ISCHEMIA) under sustained and constant pressure. | 0 | 2.31 | 1 | 0 |
| Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS. | 0 | 2.58 | 2 | 0 |
| Colorectal Cancer [description not available] | 0 | 3.37 | 6 | 0 |
| Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI. | 0 | 3.37 | 6 | 0 |
| Degenerative Diseases, Central Nervous System [description not available] | 0 | 2.54 | 2 | 0 |
| Tauopathies Neurodegenerative disorders involving deposition of abnormal tau protein isoforms (TAU PROTEINS) in neurons and glial cells in the brain. Pathological aggregations of tau proteins are associated with mutation of the tau gene on chromosome 17 in patients with ALZHEIMER DISEASE; DEMENTIA; PARKINSONIAN DISORDERS; progressive supranuclear palsy (SUPRANUCLEAR PALSY, PROGRESSIVE); and corticobasal degeneration. | 0 | 2.41 | 1 | 0 |
| a-Synucleinopathies [description not available] | 0 | 2.41 | 1 | 0 |
| TDP-43 Proteinopathies Diseases characterized by the presence of abnormally phosphorylated, ubiquitinated, and cleaved DNA-binding protein TDP-43 in affected brain and spinal cord. Inclusions of the pathologic protein in neurons and glia, without the presence of AMYLOID, is the major feature of these conditions, thus making these proteinopathies distinct from most other neurogenerative disorders in which protein misfolding leads to brain amyloidosis. Both frontotemporal lobar degeneration and AMYOTROPHIC LATERAL SCLEROSIS exhibit this common method of pathogenesis and thus they may represent two extremes of a continuous clinicopathological spectrum of one disease. | 0 | 2.41 | 1 | 0 |
| Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures. | 0 | 2.54 | 2 | 0 |
| Cancer of Colon [description not available] | 0 | 3.91 | 12 | 0 |
| Colonic Neoplasms Tumors or cancer of the COLON. | 0 | 3.91 | 12 | 0 |
| 2019 Novel Coronavirus Disease [description not available] | 0 | 3.11 | 3 | 0 |
| Cancer of Pancreas [description not available] | 0 | 6.5 | 15 | 1 |
| 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 | 6.5 | 15 | 1 |
| 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 | 11.19 | 141 | 6 |
| Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51) | 0 | 2.55 | 2 | 0 |
| Carcinoma, Non-Small Cell Lung [description not available] | 0 | 3.69 | 9 | 0 |
| Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy. | 0 | 3.69 | 9 | 0 |
| Allergic Contact Dermatitis [description not available] | 0 | 9.19 | 66 | 2 |
| Dermatitis, Allergic Contact A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure. | 0 | 9.19 | 66 | 2 |
| Mucositis An INFLAMMATION of the MUCOSA with burning or tingling sensation. It is characterized by atrophy of the squamous EPITHELIUM, vascular damage, inflammatory infiltration, and ulceration. It usually occurs at the mucous lining of the MOUTH, the GASTROINTESTINAL TRACT or the airway due to chemical irritations, CHEMOTHERAPY, or radiation therapy (RADIOTHERAPY). | 0 | 7.98 | 3 | 0 |
| HIV Coinfection [description not available] | 0 | 2.57 | 2 | 0 |
| HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS). | 0 | 2.57 | 2 | 0 |
| Tooth Fractures Break or rupture of a tooth or tooth root. | 0 | 4.13 | 3 | 1 |
| Cancer of Skin [description not available] | 0 | 3.67 | 9 | 0 |
| Skin Neoplasms Tumors or cancer of the SKIN. | 0 | 3.67 | 9 | 0 |
| Uveal Neoplasms Tumors or cancer of the UVEA. | 0 | 5.47 | 14 | 1 |
| Leucocythaemia [description not available] | 0 | 4.42 | 20 | 0 |
| Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006) | 0 | 4.42 | 20 | 0 |
| Bacterial Disease [description not available] | 0 | 3.64 | 9 | 0 |
| Bacterial Infections Infections by bacteria, general or unspecified. | 0 | 3.64 | 9 | 0 |
| Erythema Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes. | 0 | 2.6 | 1 | 0 |
| Parasitemia The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed) | 0 | 7.6 | 1 | 0 |
| Colitis Gravis [description not available] | 0 | 5.19 | 3 | 1 |
| Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN. | 0 | 5.19 | 3 | 1 |
| Apoplexy [description not available] | 0 | 3.83 | 3 | 0 |
| Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810) | 0 | 8.83 | 3 | 0 |
| Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms. | 0 | 3.12 | 1 | 0 |
| Chronic Illness [description not available] | 0 | 3.83 | 4 | 0 |
| Cardiac Remodeling, Ventricular [description not available] | 0 | 3.12 | 1 | 0 |
| Cardiometabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY. | 0 | 3.12 | 1 | 0 |
| Glucose Metabolic Disorder [description not available] | 0 | 3.12 | 1 | 0 |
| Chronic Kidney Diseases [description not available] | 0 | 3.12 | 1 | 0 |
| Co-infection [description not available] | 0 | 3.12 | 1 | 0 |
| Neonatal Death The death of a live-born INFANT less than 28 days of age. | 0 | 3.12 | 1 | 0 |
| Pulmonary Arterial Remodeling [description not available] | 0 | 3.12 | 1 | 0 |
| Debility [description not available] | 0 | 3.12 | 1 | 0 |
| Arthritis, Juvenile Chronic [description not available] | 0 | 3.12 | 1 | 0 |
| Diabetes Mellitus, Adult-Onset [description not available] | 0 | 3.5 | 2 | 0 |
| Hepatocellular Carcinoma [description not available] | 0 | 4.89 | 8 | 0 |
| Infant, Newborn, Diseases Diseases of newborn infants present at birth (congenital) or developing within the first month of birth. It does not include hereditary diseases not manifesting at birth or within the first 30 days of life nor does it include inborn errors of metabolism. Both HEREDITARY DISEASES and METABOLISM, INBORN ERRORS are available as general concepts. | 0 | 3.12 | 1 | 0 |
| Insulin Sensitivity [description not available] | 0 | 3.12 | 1 | 0 |
| Chronic Kidney Failure [description not available] | 0 | 3.12 | 1 | 0 |
| Cancer of Liver [description not available] | 0 | 5.28 | 12 | 0 |
| Central Retinal Edema, Cystoid [description not available] | 0 | 10.69 | 10 | 9 |
| MS (Multiple Sclerosis) [description not available] | 0 | 3.12 | 1 | 0 |
| Arthritis, Degenerative [description not available] | 0 | 3.12 | 1 | 0 |
| Restless Leg Syndrome [description not available] | 0 | 3.12 | 1 | 0 |
| Coxarthrosis [description not available] | 0 | 3.12 | 1 | 0 |
| Infections, Helicobacter [description not available] | 0 | 3.12 | 1 | 0 |
| Cardiac Arrest, Sudden [description not available] | 0 | 3.12 | 1 | 0 |
| Central Nervous System Toxoplasmosis [description not available] | 0 | 3.12 | 1 | 0 |
| Atrioventricular Nodal Re-Entrant Tachycardia [description not available] | 0 | 3.12 | 1 | 0 |
| Coccidioides immitis Infection [description not available] | 0 | 3.12 | 1 | 0 |
| AIDS-Related Opportunistic Infections Opportunistic infections found in patients who test positive for human immunodeficiency virus (HIV). The most common include PNEUMOCYSTIS PNEUMONIA, Kaposi's sarcoma, cryptosporidiosis, herpes simplex, toxoplasmosis, cryptococcosis, and infections with Mycobacterium avium complex, Microsporidium, and Cytomegalovirus. | 0 | 3.12 | 1 | 0 |
| Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time. | 0 | 3.84 | 4 | 0 |
| Arthritis, Juvenile Arthritis in children, with onset before 16 years of age. The terms juvenile rheumatoid arthritis (JRA) and juvenile idiopathic arthritis (JIA) refer to classification systems for chronic arthritis in children. Only one subtype of juvenile arthritis (polyarticular-onset, rheumatoid factor-positive) clinically resembles adult rheumatoid arthritis and is considered its childhood equivalent. | 0 | 3.12 | 1 | 0 |
| Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2). | 0 | 3.83 | 4 | 0 |
| Coccidioidomycosis Infection with a fungus of the genus COCCIDIOIDES, endemic to the SOUTHWESTERN UNITED STATES. It is sometimes called valley fever but should not be confused with RIFT VALLEY FEVER. Infection is caused by inhalation of airborne, fungal particles known as arthroconidia, a form of FUNGAL SPORES. A primary form is an acute, benign, self-limited respiratory infection. A secondary form is a virulent, severe, chronic, progressive granulomatous disease with systemic involvement. It can be detected by use of COCCIDIOIDIN. | 0 | 3.12 | 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 | 3.5 | 2 | 0 |
| Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION. | 0 | 3.12 | 1 | 0 |
| Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed) | 0 | 5.04 | 15 | 0 |
| Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested. | 0 | 4.89 | 8 | 0 |
| Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS. | 0 | 3.12 | 1 | 0 |
| Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION. | 0 | 3.12 | 1 | 0 |
| Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 5.28 | 12 | 0 |
| Macular Edema Fluid accumulation in the outer layer of the MACULA LUTEA that results from intraocular or systemic insults. It may develop in a diffuse pattern where the macula appears thickened or it may acquire the characteristic petaloid appearance referred to as cystoid macular edema. Although macular edema may be associated with various underlying conditions, it is most commonly seen following intraocular surgery, venous occlusive disease, DIABETIC RETINOPATHY, and posterior segment inflammatory disease. (From Survey of Ophthalmology 2004; 49(5) 470-90) | 0 | 10.69 | 10 | 9 |
| Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903) | 0 | 3.12 | 1 | 0 |
| Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans. | 0 | 3.12 | 1 | 0 |
| Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH. | 0 | 6.16 | 7 | 1 |
| Restless Legs Syndrome A disorder characterized by aching or burning sensations in the lower and rarely the upper extremities that occur prior to sleep or may awaken the patient from sleep. | 0 | 3.12 | 1 | 0 |
| Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms. | 0 | 3.12 | 1 | 0 |
| Uveitis Inflammation of part or all of the uvea, the middle (vascular) tunic of the eye, and commonly involving the other tunics (sclera and cornea, and the retina). (Dorland, 27th ed) | 0 | 3.12 | 1 | 0 |
| Ventricular Fibrillation A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST. | 0 | 3.12 | 1 | 0 |
| Osteoarthritis, Hip Noninflammatory degenerative disease of the hip joint which usually appears in late middle or old age. It is characterized by growth or maturational disturbances in the femoral neck and head, as well as acetabular dysplasia. A dominant symptom is pain on weight-bearing or motion. | 0 | 3.12 | 1 | 0 |
| Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease. | 0 | 3.12 | 1 | 0 |
| Death, Sudden, Cardiac Unexpected rapid natural death due to cardiovascular collapse within one hour of initial symptoms. It is usually caused by the worsening of existing heart diseases. The sudden onset of symptoms, such as CHEST PAIN and CARDIAC ARRHYTHMIAS, particularly VENTRICULAR TACHYCARDIA, can lead to the loss of consciousness and cardiac arrest followed by biological death. (from Braunwald's Heart Disease: A Textbook of Cardiovascular Medicine, 7th ed., 2005) | 0 | 3.12 | 1 | 0 |
| Toxoplasmosis, Cerebral Infections of the BRAIN caused by the protozoan TOXOPLASMA gondii that primarily arise in individuals with IMMUNOLOGIC DEFICIENCY SYNDROMES (see also AIDS-RELATED OPPORTUNISTIC INFECTIONS). The infection may involve the brain diffusely or form discrete abscesses. Clinical manifestations include SEIZURES, altered mentation, headache, focal neurologic deficits, and INTRACRANIAL HYPERTENSION. (From Joynt, Clinical Neurology, 1998, Ch27, pp41-3) | 0 | 3.12 | 1 | 0 |
| Tachycardia, Ventricular An abnormally rapid ventricular rhythm usually in excess of 150 beats per minute. It is generated within the ventricle below the BUNDLE OF HIS, either as autonomic impulse formation or reentrant impulse conduction. Depending on the etiology, onset of ventricular tachycardia can be paroxysmal (sudden) or nonparoxysmal, its wide QRS complexes can be uniform or polymorphic, and the ventricular beating may be independent of the atrial beating (AV dissociation). | 0 | 3.12 | 1 | 0 |
| Metabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state. | 0 | 3.12 | 1 | 0 |
| Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002) | 0 | 3.12 | 1 | 0 |
| Impotence [description not available] | 0 | 7.85 | 16 | 3 |
| Injuries, Radiation [description not available] | 0 | 15.55 | 66 | 30 |
| Erectile Dysfunction The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction. | 0 | 7.85 | 16 | 3 |
| Urinary Calculi Low-density crystals or stones in any part of the URINARY TRACT. Their chemical compositions often include CALCIUM OXALATE, magnesium ammonium phosphate (struvite), CYSTINE, or URIC ACID. | 0 | 2.25 | 1 | 0 |
| Hypermelanosis [description not available] | 0 | 3.51 | 2 | 0 |
| Narcotic Abuse [description not available] | 0 | 2.25 | 1 | 0 |
| Hyperpigmentation Excessive pigmentation of the skin, usually as a result of increased epidermal or dermal melanin pigmentation, hypermelanosis. Hyperpigmentation can be localized or generalized. The condition may arise from exposure to light, chemicals or other substances, or from a primary metabolic imbalance. | 0 | 8.51 | 2 | 0 |
| Extravascular Hemolysis [description not available] | 0 | 3.62 | 9 | 0 |
| Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity. | 0 | 3.62 | 9 | 0 |
| Acute Myelogenous Leukemia [description not available] | 0 | 2.63 | 2 | 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 | 2.63 | 2 | 0 |
| Cancer of Ovary [description not available] | 0 | 3.78 | 10 | 0 |
| Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS. | 0 | 3.78 | 10 | 0 |
| Abnormalities, Autosome [description not available] | 0 | 2.47 | 2 | 0 |
| Carcinoma, Squamous Cell of Head and Neck [description not available] | 0 | 2.21 | 1 | 0 |
| Squamous Cell Carcinoma of Head and Neck The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer. | 0 | 2.21 | 1 | 0 |
| Rheumatoid Arthritis [description not available] | 0 | 5.26 | 4 | 1 |
| Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated. | 0 | 5.26 | 4 | 1 |
| Disease Exacerbation [description not available] | 0 | 5.83 | 4 | 2 |
| Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants. | 0 | 4.39 | 1 | 1 |
| Recrudescence [description not available] | 0 | 5.56 | 6 | 1 |
| Acute Liver Injury, Drug-Induced [description not available] | 0 | 5.13 | 3 | 1 |
| Cognitive Decline [description not available] | 0 | 4.39 | 1 | 1 |
| Asthma, Bronchial [description not available] | 0 | 5.23 | 4 | 1 |
| Death, Sudden The abrupt cessation of all vital bodily functions, manifested by the permanent loss of total cerebral, respiratory, and cardiovascular functions. | 0 | 4.39 | 1 | 1 |
| Esophageal Varices [description not available] | 0 | 4.39 | 1 | 1 |
| Astrocytosis [description not available] | 0 | 4.39 | 1 | 1 |
| Hematochezia The passage of bright red blood from the rectum. The blood may or may not be mixed with formed stool in the form of blood, blood clots, bloody stool or diarrhea. | 0 | 6.5 | 6 | 3 |
| Cirrhoses, Experimental Liver [description not available] | 0 | 4.39 | 1 | 1 |
| Dent Disease X-linked recessive NEPHROLITHIASIS characterized by HYPERCALCIURIA; HYPOPHOSPHATEMIA; NEPHROCALCINOSIS; and PROTEINURIA. It is associated with mutations in the voltage-gated chloride channel, CLC-5 (Dent Disease I). Another group of mutations associated with this disease is in phosphatidylinositol 4,5-bisphosphate-5-phosphatase gene. | 0 | 4.39 | 1 | 1 |
| Local Neoplasm Recurrence [description not available] | 0 | 8.53 | 13 | 2 |
| 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 | 5.23 | 4 | 1 |
| Esophageal and Gastric Varices Dilated blood vessels in the ESOPHAGUS or GASTRIC FUNDUS that shunt blood from the portal circulation (PORTAL SYSTEM) to the systemic venous circulation. Often they are observed in individuals with portal hypertension (HYPERTENSION, PORTAL). | 0 | 4.39 | 1 | 1 |
| Gastrointestinal Hemorrhage Bleeding in any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. | 0 | 6.5 | 6 | 3 |
| Infant, Small for Gestational Age An infant having a birth weight lower than expected for its gestational age. | 0 | 4.39 | 1 | 1 |
| Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment. | 0 | 5.13 | 3 | 1 |
| Cognitive Dysfunction Diminished or impaired mental and/or intellectual function. | 0 | 4.39 | 1 | 1 |
| Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES. | 0 | 2.25 | 1 | 0 |
| Delayed Hypersensitivity [description not available] | 0 | 4.46 | 8 | 0 |
| Benign Cerebellar Neoplasms [description not available] | 0 | 2.25 | 1 | 0 |
| Arachnoidal Cerebellar Sarcoma, Circumscribed [description not available] | 0 | 2.25 | 1 | 0 |
| Medulloblastoma A malignant neoplasm that may be classified either as a glioma or as a primitive neuroectodermal tumor of childhood (see NEUROECTODERMAL TUMOR, PRIMITIVE). The tumor occurs most frequently in the first decade of life with the most typical location being the cerebellar vermis. Histologic features include a high degree of cellularity, frequent mitotic figures, and a tendency for the cells to organize into sheets or form rosettes. Medulloblastoma have a high propensity to spread throughout the craniospinal intradural axis. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2060-1) | 0 | 2.25 | 1 | 0 |
| Health Care Associated Infection [description not available] | 0 | 5 | 3 | 1 |
| Cross Infection Any infection which a patient contracts in a health-care institution. | 0 | 5 | 3 | 1 |
| Urinary Tract Infections Inflammatory responses of the epithelium of the URINARY TRACT to microbial invasions. They are often bacterial infections with associated BACTERIURIA and PYURIA. | 0 | 8.91 | 7 | 4 |
| Metastase [description not available] | 0 | 3.28 | 6 | 0 |
| Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site. | 0 | 3.28 | 6 | 0 |
| Deficiency, Vitamin B 12 [description not available] | 0 | 2.25 | 1 | 0 |
| Vitamin B 12 Deficiency A nutritional condition produced by a deficiency of VITAMIN B 12 in the diet, characterized by megaloblastic anemia. Since vitamin B 12 is not present in plants, humans have obtained their supply from animal products, from multivitamin supplements in the form of pills, and as additives to food preparations. A wide variety of neuropsychiatric abnormalities is also seen in vitamin B 12 deficiency and appears to be due to an undefined defect involving myelin synthesis. (From Cecil Textbook of Medicine, 19th ed, p848) | 0 | 2.25 | 1 | 0 |
| Urination Disorders Abnormalities in the process of URINE voiding, including bladder control, frequency of URINATION, as well as the volume and composition of URINE. | 0 | 8.29 | 14 | 2 |
| Diathesis [description not available] | 0 | 3.86 | 2 | 1 |
| Catheter-Associated Infections [description not available] | 0 | 3.5 | 2 | 0 |
| Bacteriuria The presence of bacteria in the urine which is normally bacteria-free. These bacteria are from the URINARY TRACT and are not contaminants of the surrounding tissues. Bacteriuria can be symptomatic or asymptomatic. Significant bacteriuria is an indicator of urinary tract infection. | 0 | 8.61 | 5 | 4 |
| Allergic Reaction [description not available] | 0 | 6.06 | 28 | 0 |
| Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen. | 0 | 11.06 | 28 | 0 |
| Anasarca [description not available] | 0 | 6.84 | 24 | 1 |
| Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE. | 0 | 11.84 | 24 | 1 |
| Leishmaniasis, American [description not available] | 0 | 2.31 | 1 | 0 |
| Leishmaniasis, Cutaneous An endemic disease that is characterized by the development of single or multiple localized lesions on exposed areas of skin that typically ulcerate. The disease has been divided into Old and New World forms. Old World leishmaniasis is separated into three distinct types according to epidemiology and clinical manifestations and is caused by species of the L. tropica and L. aethiopica complexes as well as by species of the L. major genus. New World leishmaniasis, also called American leishmaniasis, occurs in South and Central America and is caused by species of the L. mexicana or L. braziliensis complexes. | 0 | 2.31 | 1 | 0 |
| Infections, Plasmodium [description not available] | 0 | 3.48 | 2 | 0 |
| Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia. | 0 | 3.48 | 2 | 0 |
| Cancer of the Thyroid [description not available] | 0 | 2.38 | 2 | 0 |
| Thyroid Neoplasms Tumors or cancer of the THYROID GLAND. | 0 | 2.38 | 2 | 0 |
| B16 Melanoma [description not available] | 0 | 3.31 | 6 | 0 |
| Adjuvant Arthritis [description not available] | 0 | 2.31 | 1 | 0 |
| American Trypanosomiasis [description not available] | 0 | 2.77 | 3 | 0 |
| Chagas Disease Infection with the protozoan parasite TRYPANOSOMA CRUZI, a form of TRYPANOSOMIASIS endemic in Central and South America. It is named after the Brazilian physician Carlos Chagas, who discovered the parasite. Infection by the parasite (positive serologic result only) is distinguished from the clinical manifestations that develop years later, such as destruction of PARASYMPATHETIC GANGLIA; CHAGAS CARDIOMYOPATHY; and dysfunction of the ESOPHAGUS or COLON. | 0 | 2.77 | 3 | 0 |
| Food Poisoning [description not available] | 0 | 2.31 | 1 | 0 |
| Osteogenic Sarcoma [description not available] | 0 | 3.03 | 4 | 0 |
| Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed) | 0 | 8.03 | 4 | 0 |
| Iris Neoplasms Tumors of the iris characterized by increased pigmentation of melanocytes. Iris nevi are composed of proliferated melanocytes and are associated with neurofibromatosis and malignant melanoma of the choroid and ciliary body. Malignant melanoma of the iris often originates from preexisting nevi. | 0 | 3.15 | 5 | 0 |
| Benign Neoplasms, Brain [description not available] | 0 | 2.72 | 3 | 0 |
| Astrocytoma, Grade IV [description not available] | 0 | 2.71 | 3 | 0 |
| Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain. | 0 | 2.72 | 3 | 0 |
| Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures. | 0 | 2.71 | 3 | 0 |
| Break-Bone Fever [description not available] | 0 | 2.15 | 1 | 0 |
| Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue. | 0 | 2.15 | 1 | 0 |
| Plasmodium falciparum Malaria [description not available] | 0 | 2.15 | 1 | 0 |
| Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations. | 0 | 2.15 | 1 | 0 |
| Dysplastic Nevus Syndrome, Hereditary [description not available] | 0 | 2.15 | 1 | 0 |
| Diabetic Glomerulosclerosis [description not available] | 0 | 2.17 | 1 | 0 |
| Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE. | 0 | 2.17 | 1 | 0 |
| Glaucoma An ocular disease, occurring in many forms, having as its primary characteristics an unstable or a sustained increase in the intraocular pressure which the eye cannot withstand without damage to its structure or impairment of its function. The consequences of the increased pressure may be manifested in a variety of symptoms, depending upon type and severity, such as excavation of the optic disk, hardness of the eyeball, corneal anesthesia, reduced visual acuity, seeing of colored halos around lights, disturbed dark adaptation, visual field defects, and headaches. (Dictionary of Visual Science, 4th ed) | 0 | 7.17 | 1 | 0 |
| Papilloma, Squamous Cell [description not available] | 0 | 2.15 | 1 | 0 |
| Papilloma A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed) | 0 | 2.15 | 1 | 0 |
| Hepatitis B Virus Infection [description not available] | 0 | 2.59 | 2 | 0 |
| Hepatitis B INFLAMMATION of the LIVER in humans caused by a member of the ORTHOHEPADNAVIRUS genus, HEPATITIS B VIRUS. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact. | 0 | 2.59 | 2 | 0 |
| Skin Aging The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight. | 0 | 2.53 | 2 | 0 |
| Choroid Neoplasms Tumors of the choroid; most common intraocular tumors are malignant melanomas of the choroid. These usually occur after puberty and increase in incidence with advancing age. Most malignant melanomas of the uveal tract develop from benign melanomas (nevi). | 0 | 13.08 | 51 | 23 |
| Ear Diseases Pathological processes of the ear, the hearing, and the equilibrium system of the body. | 0 | 2.17 | 1 | 0 |
| Granulomas [description not available] | 0 | 7.77 | 3 | 0 |
| Dermatoses [description not available] | 0 | 2.67 | 3 | 0 |
| Granuloma A relatively small nodular inflammatory lesion containing grouped mononuclear phagocytes, caused by infectious and noninfectious agents. | 0 | 2.77 | 3 | 0 |
| Skin Diseases Diseases involving the DERMIS or EPIDERMIS. | 0 | 2.67 | 3 | 0 |
| Kidney Diseases Pathological processes of the KIDNEY or its component tissues. | 0 | 2.46 | 2 | 0 |
| Coronary Artery Stenosis [description not available] | 0 | 2.17 | 1 | 0 |
| Coronary Stenosis Narrowing or constriction of a coronary artery. | 0 | 2.17 | 1 | 0 |
| Retinal Pigment Epithelial Detachment [description not available] | 0 | 4.16 | 3 | 1 |
| Retinal Detachment Separation of the inner layers of the retina (neural retina) from the pigment epithelium. Retinal detachment occurs more commonly in men than in women, in eyes with degenerative myopia, in aging and in aphakia. It may occur after an uncomplicated cataract extraction, but it is seen more often if vitreous humor has been lost during surgery. (Dorland, 27th ed; Newell, Ophthalmology: Principles and Concepts, 7th ed, p310-12). | 0 | 9.16 | 3 | 1 |
| Cancer of Head [description not available] | 0 | 2.92 | 4 | 0 |
| Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651) | 0 | 2.92 | 4 | 0 |
| Carcinoma, Epidermoid [description not available] | 0 | 2.75 | 3 | 0 |
| Invasiveness, Neoplasm [description not available] | 0 | 4.35 | 7 | 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 | 2.75 | 3 | 0 |
| Granulocytic Leukemia, Chronic [description not available] | 0 | 2.49 | 2 | 0 |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS. | 0 | 2.49 | 2 | 0 |
| Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms. | 0 | 4.74 | 7 | 1 |
| Fibrosarcoma A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed) | 0 | 3.25 | 6 | 0 |
| Protein Aggregation, Pathological A biochemical phenomenon in which misfolded proteins aggregate either intra- or extracellularly. Triggered by factors such as MUTATION; POST-TRANSLATIONAL MODIFICATIONS, and environmental stress, it is generally associated with ALZHEIMER DISEASE; PARKINSON DISEASE; HUNTINGTON DISEASE; and TYPE 2 DIABETES MELLITUS. | 0 | 2.21 | 1 | 0 |
| Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM. | 0 | 2.51 | 2 | 0 |
| Pyrexia [description not available] | 0 | 2.21 | 1 | 0 |
| Fever An abnormal elevation of body temperature, usually as a result of a pathologic process. | 0 | 2.21 | 1 | 0 |
| Bone Cancer [description not available] | 0 | 2.68 | 3 | 0 |
| Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES. | 0 | 2.68 | 3 | 0 |
| Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE. | 0 | 2.52 | 2 | 0 |
| Fungal Diseases [description not available] | 0 | 2.49 | 2 | 0 |
| Mycoses Diseases caused by FUNGI. | 0 | 2.49 | 2 | 0 |
| Bruxism A disorder characterized by grinding and clenching of the teeth. | 0 | 3.8 | 2 | 1 |
| Tooth Loss The failure to retain teeth as a result of disease or injury. | 0 | 3.47 | 1 | 1 |
| Cancer of Stomach [description not available] | 0 | 2.81 | 3 | 0 |
| Stomach Neoplasms Tumors or cancer of the STOMACH. | 0 | 2.81 | 3 | 0 |
| Jaw, Edentulous, Partially Absence of teeth from a portion of the mandible and/or maxilla. | 0 | 2.06 | 1 | 0 |
| Dehydration The condition that results from excessive loss of water from a living organism. | 0 | 7.74 | 3 | 0 |
| Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill. | 0 | 2.74 | 3 | 0 |
| 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 | 7.75 | 3 | 0 |
| Koch's Disease [description not available] | 0 | 2.48 | 2 | 0 |
| Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS. | 0 | 7.48 | 2 | 0 |
| E coli Infections [description not available] | 0 | 3.84 | 2 | 1 |
| Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI. | 0 | 3.84 | 2 | 1 |
| Contact Dermatitis [description not available] | 0 | 6.04 | 28 | 0 |
| Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms. | 0 | 6.04 | 28 | 0 |
| Teeth, Devitalized [description not available] | 0 | 4.51 | 5 | 1 |
| Avulsed Tooth [description not available] | 0 | 2.1 | 1 | 0 |
| Mouth Diseases Diseases involving the MOUTH. | 0 | 4.31 | 7 | 0 |
| Acute Promyelocytic Leukemia [description not available] | 0 | 2.47 | 2 | 0 |
| Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION. | 0 | 2.47 | 2 | 0 |
| Brain Disorders [description not available] | 0 | 2.1 | 1 | 0 |
| Brain Diseases Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM. | 0 | 2.1 | 1 | 0 |
| Metaplasia A condition in which there is a change of one adult cell type to another similar adult cell type. | 0 | 2.1 | 1 | 0 |
| Diplopia A visual symptom in which a single object is perceived by the visual cortex as two objects rather than one. Disorders associated with this condition include REFRACTIVE ERRORS; STRABISMUS; OCULOMOTOR NERVE DISEASES; TROCHLEAR NERVE DISEASES; ABDUCENS NERVE DISEASES; and diseases of the BRAIN STEM and OCCIPITAL LOBE. | 0 | 2.1 | 1 | 0 |
| Granuloma, Hodgkin [description not available] | 0 | 2.11 | 1 | 0 |
| Animal Mammary Carcinoma [description not available] | 0 | 2.11 | 1 | 0 |
| Hodgkin Disease A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen. | 0 | 2.11 | 1 | 0 |
| Dermatitis, Occupational A recurrent contact dermatitis caused by substances found in the work place. | 0 | 3.48 | 8 | 0 |
| Nasal Catarrh [description not available] | 0 | 2.1 | 1 | 0 |
| Hives [description not available] | 0 | 3.33 | 2 | 0 |
| Rhinitis Inflammation of the NASAL MUCOSA, the mucous membrane lining the NASAL CAVITIES. | 0 | 7.1 | 1 | 0 |
| Urticaria A vascular reaction of the skin characterized by erythema and wheal formation due to localized increase of vascular permeability. The causative mechanism may be allergy, infection, or stress. | 0 | 8.33 | 2 | 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 | 7.1 | 1 | 0 |
| Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES. | 0 | 2.11 | 1 | 0 |
| Cancer of Mouth [description not available] | 0 | 2.68 | 3 | 0 |
| Mouth Neoplasms Tumors or cancer of the MOUTH. | 0 | 2.68 | 3 | 0 |
| Drusen, Retinal [description not available] | 0 | 2.11 | 1 | 0 |
| Chemical Sensitivities, Multiple [description not available] | 0 | 2.43 | 2 | 0 |
| Taste Disorder, Anterior Tongue [description not available] | 0 | 2.11 | 1 | 0 |
| Asialia [description not available] | 0 | 2.11 | 1 | 0 |
| Xerostomia Decreased salivary flow. | 0 | 2.11 | 1 | 0 |
| Lichen Planus, Oral Oral lesions accompanying cutaneous lichen planus or often occurring alone. The buccal mucosa, lips, gingivae, floor of the mouth, and palate are usually affected (in a descending order of frequency). Typically, oral lesions consist of radiating white or gray, velvety, threadlike lines, arranged in a reticular pattern, at the intersection of which there may be minute, white, elevated dots or streaks (Wickham's striae). (Jablonski, Illustrated Dictionary of Dentistry) | 0 | 2.43 | 2 | 0 |
| Hansen Disease [description not available] | 0 | 2.11 | 1 | 0 |
| Leprosy A chronic granulomatous infection caused by MYCOBACTERIUM LEPRAE. The granulomatous lesions are manifested in the skin, the mucous membranes, and the peripheral nerves. Two polar or principal types are lepromatous and tuberculoid. | 0 | 2.11 | 1 | 0 |
| Libman-Sacks Disease [description not available] | 0 | 2.11 | 1 | 0 |
| Sicca Syndrome [description not available] | 0 | 2.11 | 1 | 0 |
| Lupus Erythematosus, Systemic A chronic, relapsing, inflammatory, and often febrile multisystemic disorder of connective tissue, characterized principally by involvement of the skin, joints, kidneys, and serosal membranes. It is of unknown etiology, but is thought to represent a failure of the regulatory mechanisms of the autoimmune system. The disease is marked by a wide range of system dysfunctions, an elevated erythrocyte sedimentation rate, and the formation of LE cells in the blood or bone marrow. | 0 | 2.11 | 1 | 0 |
| Sjogren's Syndrome Chronic inflammatory and autoimmune disease in which the salivary and lacrimal glands undergo progressive destruction by lymphocytes and plasma cells resulting in decreased production of saliva and tears. The primary form, often called sicca syndrome, involves both KERATOCONJUNCTIVITIS SICCA and XEROSTOMIA. The secondary form includes, in addition, the presence of a connective tissue disease, usually rheumatoid arthritis. | 0 | 2.11 | 1 | 0 |
| Adenocarcinoma, Basal Cell [description not available] | 0 | 13.41 | 55 | 13 |
| Adenocarcinoma A malignant epithelial tumor with a glandular organization. | 0 | 13.41 | 55 | 13 |
| Glaucoma, Neovascular A form of secondary glaucoma which develops as a consequence of another ocular disease and is attributed to the forming of new vessels in the angle of the anterior chamber. | 0 | 2.11 | 1 | 0 |
| Eye Pain A dull or sharp painful sensation associated with the outer or inner structures of the eyeball, having different causes. | 0 | 2.11 | 1 | 0 |
| Depression, Endogenous [description not available] | 0 | 2.48 | 2 | 0 |
| Depressive Disorder An affective disorder manifested by either a dysphoric mood or loss of interest or pleasure in usual activities. The mood disturbance is prominent and relatively persistent. | 0 | 2.48 | 2 | 0 |
| Dental Wear [description not available] | 0 | 2.11 | 1 | 0 |
| Aura [description not available] | 0 | 2.11 | 1 | 0 |
| Absence Seizure [description not available] | 0 | 2.39 | 2 | 0 |
| Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313) | 0 | 2.11 | 1 | 0 |
| Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder. | 0 | 2.39 | 2 | 0 |
| Cancer of Cervix [description not available] | 0 | 3.25 | 6 | 0 |
| Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX. | 0 | 3.25 | 6 | 0 |
| Binge Alcohol Consumption [description not available] | 0 | 2.11 | 1 | 0 |
| Alcohol Abuse [description not available] | 0 | 2.49 | 2 | 0 |
| Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4) | 0 | 2.49 | 2 | 0 |
| Blastomyces brasiliensis Infection [description not available] | 0 | 2.11 | 1 | 0 |
| Carcinoma, Ductal, Breast An invasive (infiltrating) CARCINOMA of the mammary ductal system (MAMMARY GLANDS) in the human BREAST. | 0 | 11.16 | 19 | 10 |
| Seroma Tumor-like sterile accumulation of serum in a tissue, organ, or cavity. It results from a tissue insult and is the product of tissue inflammation. It most commonly occurs following MASTECTOMY. | 0 | 4.41 | 1 | 1 |
| Atypical Ductal Hyperplasia [description not available] | 0 | 5.83 | 2 | 2 |
| Cancer, Second Primary [description not available] | 0 | 5.68 | 2 | 1 |
| Carcinoma, Intraductal, Noninfiltrating A noninvasive (noninfiltrating) carcinoma of the breast characterized by a proliferation of malignant epithelial cells confined to the mammary ducts or lobules, without light-microscopy evidence of invasion through the basement membrane into the surrounding stroma. | 0 | 5.83 | 2 | 2 |
| Infections, Respiratory [description not available] | 0 | 4.41 | 1 | 1 |
| Respiratory Tract Infections Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases. | 0 | 4.41 | 1 | 1 |
| Bacillus anthracis Infection [description not available] | 0 | 2.75 | 3 | 0 |
| Anthrax An acute infection caused by the spore-forming bacteria BACILLUS ANTHRACIS. It commonly affects hoofed animals such as sheep and goats. Infection in humans often involves the skin (cutaneous anthrax), the lungs (inhalation anthrax), or the gastrointestinal tract. Anthrax is not contagious and can be treated with antibiotics. | 0 | 7.75 | 3 | 0 |
| Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted [description not available] | 0 | 2.13 | 1 | 0 |
| Hepatitis C INFLAMMATION of the LIVER in humans caused by HEPATITIS C VIRUS, a single-stranded RNA virus. Its incubation period is 30-90 days. Hepatitis C is transmitted primarily by contaminated blood parenterally and is often associated with transfusion and intravenous drug abuse. However, in a significant number of cases, the source of hepatitis C infection is unknown. | 0 | 2.13 | 1 | 0 |
| Infection [description not available] | 0 | 2.13 | 1 | 0 |
| Infections Invasion of the host organism by microorganisms or their toxins or by parasites that can cause pathological conditions or diseases. | 0 | 2.13 | 1 | 0 |
| Angiogenesis, Pathologic [description not available] | 0 | 5.27 | 6 | 0 |
| Cardiac Diseases [description not available] | 0 | 2.15 | 1 | 0 |
| Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities. | 0 | 2.15 | 1 | 0 |
| Licheniform Eruptions [description not available] | 0 | 3.62 | 3 | 0 |
| Burning Mouth Syndrome A group of painful oral symptoms associated with a burning or similar sensation. There is usually a significant organic component with a degree of functional overlay; it is not limited to the psychophysiologic group of disorders. | 0 | 3.86 | 4 | 0 |
| Vitiligo A disorder consisting of areas of macular depigmentation, commonly on extensor aspects of extremities, on the face or neck, and in skin folds. Age of onset is often in young adulthood and the condition tends to progress gradually with lesions enlarging and extending until a quiescent state is reached. | 0 | 7.15 | 1 | 0 |
| Cholangiocellular Carcinoma [description not available] | 0 | 3.37 | 2 | 0 |
| Bile Duct Cancer [description not available] | 0 | 3.37 | 2 | 0 |
| Bile Duct Neoplasms Tumors or cancer of the BILE DUCTS. | 0 | 3.37 | 2 | 0 |
| Cholangiocarcinoma A malignant tumor arising from the epithelium of the BILE DUCTS. | 0 | 3.37 | 2 | 0 |
| Diseases of Immune System [description not available] | 0 | 2.04 | 1 | 0 |
| Immune System Diseases Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both. | 0 | 2.04 | 1 | 0 |
| Anxiety Neuroses [description not available] | 0 | 2.05 | 1 | 0 |
| Anxiety Disorders Persistent and disabling ANXIETY. | 0 | 2.05 | 1 | 0 |
| Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age. | 0 | 2.05 | 1 | 0 |
| Leukemia L 1210 [description not available] | 0 | 3.99 | 14 | 0 |
| Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene. | 0 | 3.59 | 9 | 0 |
| Urinary Retention Inability to empty the URINARY BLADDER with voiding (URINATION). | 0 | 7.86 | 10 | 3 |
| Anorectal Diseases [description not available] | 0 | 7.42 | 10 | 5 |
| Urinary Tract Diseases [description not available] | 0 | 3.35 | 2 | 0 |
| Rectal Diseases Pathological developments in the RECTUM region of the large intestine (INTESTINE, LARGE). | 0 | 7.42 | 10 | 5 |
| Melanoma, Amelanotic An unpigmented malignant melanoma. It is an anaplastic melanoma consisting of cells derived from melanoblasts but not forming melanin. (Dorland, 27th ed; Stedman, 25th ed) | 0 | 2.05 | 1 | 0 |
| Facial Dermatoses Skin diseases involving the FACE. | 0 | 2.43 | 2 | 0 |
| Hemorrhage, Retinal [description not available] | 0 | 9.67 | 9 | 9 |
| Neovascularization, Optic Disc [description not available] | 0 | 11.02 | 12 | 11 |
| Retinal Diseases Diseases involving the RETINA. | 0 | 10.76 | 11 | 9 |
| Retinal Neovascularization Formation of new blood vessels originating from the retinal veins and extending along the inner (vitreal) surface of the retina. | 0 | 11.02 | 12 | 11 |
| Carcinoma, Anaplastic [description not available] | 0 | 5.84 | 14 | 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 | 5.84 | 14 | 0 |
| Bone Loss, Osteoclastic [description not available] | 0 | 2.71 | 3 | 0 |
| Jaw Diseases Diseases involving the JAW. | 0 | 2.05 | 1 | 0 |
| B-Cell Chronic Lymphocytic Leukemia [description not available] | 0 | 2.05 | 1 | 0 |
| Leukemia, Lymphocytic, Chronic, B-Cell A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease. | 0 | 2.05 | 1 | 0 |
| Cataract, Membranous [description not available] | 0 | 2.73 | 3 | 0 |
| Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed) | 0 | 7.73 | 3 | 0 |
| Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures. | 0 | 2.06 | 1 | 0 |
| Multiple Primary Neoplasms [description not available] | 0 | 2.06 | 1 | 0 |
| Eye Hemorrhage Intraocular hemorrhage from the vessels of various tissues of the eye. | 0 | 4.93 | 4 | 0 |
| Cranial Nerve II Diseases [description not available] | 0 | 4.93 | 4 | 0 |
| Choked Disk [description not available] | 0 | 4.93 | 4 | 0 |
| Optic Nerve Diseases Conditions which produce injury or dysfunction of the second cranial or optic nerve, which is generally considered a component of the central nervous system. Damage to optic nerve fibers may occur at or near their origin in the retina, at the optic disk, or in the nerve, optic chiasm, optic tract, or lateral geniculate nuclei. Clinical manifestations may include decreased visual acuity and contrast sensitivity, impaired color vision, and an afferent pupillary defect. | 0 | 4.93 | 4 | 0 |
| Papilledema Swelling of the OPTIC DISK, usually in association with increased intracranial pressure, characterized by hyperemia, blurring of the disk margins, microhemorrhages, blind spot enlargement, and engorgement of retinal veins. Chronic papilledema may cause OPTIC ATROPHY and visual loss. (Miller et al., Clinical Neuro-Ophthalmology, 4th ed, p175) | 0 | 4.93 | 4 | 0 |
| Grippe [description not available] | 0 | 2.06 | 1 | 0 |
| Influenza, Human An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia. | 0 | 2.06 | 1 | 0 |
| Glial Cell Tumors [description not available] | 0 | 2.39 | 2 | 0 |
| Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21) | 0 | 2.39 | 2 | 0 |
| Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY). | 0 | 7.66 | 5 | 4 |
| Dementias, Transmissible [description not available] | 0 | 2.06 | 1 | 0 |
| Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply. | 0 | 2.68 | 3 | 0 |
| Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders. | 0 | 2.06 | 1 | 0 |
| Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS. | 0 | 2.06 | 1 | 0 |
| ATLL [description not available] | 0 | 2.06 | 1 | 0 |
| Leukemia-Lymphoma, Adult T-Cell Aggressive T-Cell malignancy with adult onset, caused by HUMAN T-LYMPHOTROPIC VIRUS 1. It is endemic in Japan, the Caribbean basin, Southeastern United States, Hawaii, and parts of Central and South America and sub-Saharan Africa. | 0 | 2.06 | 1 | 0 |
| Caries, Dental [description not available] | 0 | 2.41 | 2 | 0 |
| Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp. | 0 | 2.41 | 2 | 0 |
| Dermatitis, Radiation-Induced [description not available] | 0 | 4.37 | 1 | 1 |
| Radiodermatitis A cutaneous inflammatory reaction occurring as a result of exposure to ionizing radiation. | 0 | 4.37 | 1 | 1 |
| Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration. | 0 | 4.28 | 4 | 1 |
| Complications of Diabetes Mellitus [description not available] | 0 | 2.07 | 1 | 0 |
| Jaw, Edentulous The total absence of teeth from either the mandible or the maxilla, but not both. Total absence of teeth from both is MOUTH, EDENTULOUS. Partial absence of teeth in either is JAW, EDENTULOUS, PARTIALLY. | 0 | 2.92 | 4 | 0 |
| Dermatitis, Eczematous [description not available] | 0 | 2.42 | 2 | 0 |
| Besnier-Boeck Disease [description not available] | 0 | 2.44 | 2 | 0 |
| Eczema A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed). | 0 | 2.42 | 2 | 0 |
| Sarcoidosis An idiopathic systemic inflammatory granulomatous disorder comprised of epithelioid and multinucleated giant cells with little necrosis. It usually invades the lungs with fibrosis and may also involve lymph nodes, skin, liver, spleen, eyes, phalangeal bones, and parotid glands. | 0 | 2.44 | 2 | 0 |
| Minimal Disease, Residual [description not available] | 0 | 2.44 | 2 | 0 |
| Nevi, Melanocytic [description not available] | 0 | 2.07 | 1 | 0 |
| Sclera Diseases [description not available] | 0 | 2.07 | 1 | 0 |
| Conjunctival Neoplasms Tumors or cancer of the CONJUNCTIVA. | 0 | 2.07 | 1 | 0 |
| Nevus, Pigmented A nevus containing melanin. The term is usually restricted to nevocytic nevi (round or oval collections of melanin-containing nevus cells occurring at the dermoepidermal junction of the skin or in the dermis proper) or moles, but may be applied to other pigmented nevi. | 0 | 2.07 | 1 | 0 |
| Genetic Predisposition [description not available] | 0 | 3.47 | 1 | 1 |
| Epithelial Ovarian Cancer [description not available] | 0 | 2.07 | 1 | 0 |
| Epithelial Neoplasms [description not available] | 0 | 2.07 | 1 | 0 |
| Carcinoma, Ovarian Epithelial A malignant neoplasm that originates in cells on the surface EPITHELIUM of the ovary and is the most common form of ovarian cancer. There are five histologic subtypes: papillary serous, endometrioid, mucinous, clear cell, and transitional cell. Mutations in BRCA1, OPCML, PRKN, PIK3CA, AKT1, CTNNB1, RRAS2, and CDH1 genes are associated with this cancer. | 0 | 2.07 | 1 | 0 |
| Eosinophilia, Tropical [description not available] | 0 | 2.01 | 1 | 0 |
| Funnel Chest A developmental anomaly in which the lower sternum is posteriorly dislocated and concavely deformed, resulting in a funnel-shaped thorax. | 0 | 2.01 | 1 | 0 |
| Complication, Postoperative [description not available] | 0 | 4.1 | 3 | 1 |
| Eosinophilia Abnormal increase of EOSINOPHILS in the blood, tissues or organs. | 0 | 2.01 | 1 | 0 |
| Pleural Effusion Presence of fluid in the pleural cavity resulting from excessive transudation or exudation from the pleural surfaces. It is a sign of disease and not a diagnosis in itself. | 0 | 2.01 | 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 | 4.1 | 3 | 1 |
| Caries, Cervical [description not available] | 0 | 2.01 | 1 | 0 |
| Parodontosis [description not available] | 0 | 2.39 | 2 | 0 |
| Tooth Mobility Horizontal and, to a lesser degree, axial movement of a tooth in response to normal forces, as in occlusion. It refers also to the movability of a tooth resulting from loss of all or a portion of its attachment and supportive apparatus, as seen in periodontitis, occlusal trauma, and periodontosis. (From Jablonski, Dictionary of Dentistry, 1992, p507 & Boucher's Clinical Dental Terminology, 4th ed, p313) | 0 | 2.01 | 1 | 0 |
| Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT. | 0 | 2.39 | 2 | 0 |
| Foreign-Body Migration Migration of a foreign body from its original location to some other location in the body. | 0 | 3.61 | 9 | 0 |
| Chromosome-Defective Micronuclei [description not available] | 0 | 2.43 | 2 | 0 |
| Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells. | 0 | 2.01 | 1 | 0 |
| Urethral Diseases Pathological processes involving the URETHRA. | 0 | 2.01 | 1 | 0 |
| Autoimmune Disease [description not available] | 0 | 2.01 | 1 | 0 |
| Autoimmune Diseases Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides. | 0 | 2.01 | 1 | 0 |
| Thyroid Diseases Pathological processes involving the THYROID GLAND. | 0 | 2.01 | 1 | 0 |
| Neoplasms, Bronchial [description not available] | 0 | 2.01 | 1 | 0 |
| Adenocystic Carcinoma [description not available] | 0 | 2.01 | 1 | 0 |
| Bronchial Neoplasms Tumors or cancer of the BRONCHI. | 0 | 2.01 | 1 | 0 |
| Carcinoma, Adenoid Cystic Carcinoma characterized by bands or cylinders of hyalinized or mucinous stroma separating or surrounded by nests or cords of small epithelial cells. When the cylinders occur within masses of epithelial cells, they give the tissue a perforated, sievelike, or cribriform appearance. Such tumors occur in the mammary glands, the mucous glands of the upper and lower respiratory tract, and the salivary glands. They are malignant but slow-growing, and tend to spread locally via the nerves. (Dorland, 27th ed) | 0 | 2.01 | 1 | 0 |
| Foreign-Body Reaction Chronic inflammation and granuloma formation around irritating foreign bodies. | 0 | 3.07 | 5 | 0 |
| Epulides, Giant Cell [description not available] | 0 | 2.01 | 1 | 0 |
| External Ear Inflammation [description not available] | 0 | 2.01 | 1 | 0 |
| Granuloma, Giant Cell A non-neoplastic inflammatory lesion, usually of the jaw or gingiva, containing large, multinucleated cells. It includes reparative giant cell granuloma. Peripheral giant cell granuloma refers to the gingiva (giant cell epulis); central refers to the jaw. | 0 | 2.01 | 1 | 0 |
| Otitis Externa Inflammation of the OUTER EAR including the external EAR CANAL, cartilages of the auricle (EAR CARTILAGE), and the TYMPANIC MEMBRANE. | 0 | 2.01 | 1 | 0 |
| Hematuria Presence of blood in the urine. | 0 | 3.8 | 2 | 1 |
| Chromosomal Breakage [description not available] | 0 | 2.01 | 1 | 0 |
| Germinoblastoma [description not available] | 0 | 2.01 | 1 | 0 |
| Leukemia L5178 An experimental lymphocytic leukemia of mice. | 0 | 2.01 | 1 | 0 |
| Lymphoma A general term for various neoplastic diseases of the lymphoid tissue. | 0 | 7.01 | 1 | 0 |
| Bleeding [description not available] | 0 | 4.37 | 2 | 2 |
| Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight. | 0 | 3.78 | 2 | 1 |
| Hemorrhage Bleeding or escape of blood from a vessel. | 0 | 4.37 | 2 | 2 |
| Urinary Incontinence Involuntary loss of URINE, such as leaking of urine. It is a symptom of various underlying pathological processes. Major types of incontinence include URINARY URGE INCONTINENCE and URINARY STRESS INCONTINENCE. | 0 | 5.56 | 6 | 1 |
| Cytomegalovirus A genus of the family HERPESVIRIDAE, subfamily BETAHERPESVIRINAE, infecting the salivary glands, liver, spleen, lungs, eyes, and other organs, in which they produce characteristically enlarged cells with intranuclear inclusions. Infection with Cytomegalovirus is also seen as an opportunistic infection in AIDS. | 0 | 2.01 | 1 | 0 |
| Incontinentia Pigmenti Achromians [description not available] | 0 | 2.39 | 2 | 0 |
| Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue. | 0 | 2.71 | 3 | 0 |
| Stomatitis, Denture Inflammation of the mouth due to denture irritation. | 0 | 3.08 | 5 | 0 |
| Conjugate Nystagmus [description not available] | 0 | 1.94 | 1 | 0 |
| Vestibular Diseases Pathological processes of the VESTIBULAR LABYRINTH which contains part of the balancing apparatus. Patients with vestibular diseases show instability and are at risk of frequent falls. | 0 | 1.94 | 1 | 0 |
| Brain Ventricular Neoplasms [description not available] | 0 | 1.94 | 1 | 0 |
| Prostatic Diseases Pathological processes involving the PROSTATE or its component tissues. | 0 | 3.61 | 9 | 0 |
| Age-Related Macular Degeneration [description not available] | 0 | 6.13 | 4 | 3 |
| Macular Degeneration Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms. | 0 | 11.13 | 4 | 3 |
| Epididymitis Inflammation of the EPIDIDYMIS. Its clinical features include enlarged epididymis, a swollen SCROTUM; PAIN; PYURIA; and FEVER. It is usually related to infections in the URINARY TRACT, which likely spread to the EPIDIDYMIS through either the VAS DEFERENS or the lymphatics of the SPERMATIC CORD. | 0 | 3.4 | 1 | 1 |
| Cronobacter Infections [description not available] | 0 | 3.4 | 1 | 1 |
| Enterobacteriaceae Infections Infections with bacteria of the family ENTEROBACTERIACEAE. | 0 | 3.4 | 1 | 1 |
| Anterior Urethral Stricture [description not available] | 0 | 3.33 | 2 | 0 |
| Urethral Stricture Narrowing of any part of the URETHRA. It is characterized by decreased urinary stream and often other obstructive voiding symptoms. | 0 | 3.33 | 2 | 0 |
| Bladder Neck Obstruction [description not available] | 0 | 2.43 | 2 | 0 |
| Anterior Circulation Transient Ischemic Attack [description not available] | 0 | 2.02 | 1 | 0 |
| Ischemic Attack, Transient Brief reversible episodes of focal, nonconvulsive ischemic dysfunction of the brain having a duration of less than 24 hours, and usually less than one hour, caused by transient thrombotic or embolic blood vessel occlusion or stenosis. Events may be classified by arterial distribution, temporal pattern, or etiology (e.g., embolic vs. thrombotic). (From Adams et al., Principles of Neurology, 6th ed, pp814-6) | 0 | 2.02 | 1 | 0 |
| Embolism, Pulmonary [description not available] | 0 | 2.92 | 4 | 0 |
| Pulmonary Embolism Blocking of the PULMONARY ARTERY or one of its branches by an EMBOLUS. | 0 | 2.92 | 4 | 0 |
| Constriction, Pathological [description not available] | 0 | 2.43 | 2 | 0 |
| Constriction, Pathologic The condition of an anatomical structure's being constricted beyond normal dimensions. | 0 | 2.43 | 2 | 0 |
| Angioma A vascular anomaly due to proliferation of blood or lymphatic vessels that forms a tumor-like mass. Vessels in the angioma may or may not be dilated. | 0 | 8.4 | 1 | 1 |
| Hemangioma A vascular anomaly due to proliferation of BLOOD VESSELS that forms a tumor-like mass. The common types involve CAPILLARIES and VEINS. It can occur anywhere in the body but is most frequently noticed in the SKIN and SUBCUTANEOUS TISSUE. (from Stedman, 27th ed, 2000) | 0 | 8.4 | 1 | 1 |
| Rhinitis, Allergic, Nonseasonal [description not available] | 0 | 2.02 | 1 | 0 |
| Rhinitis, Allergic, Perennial Inflammation of the mucous membrane of the nose similar to that found in hay fever except that symptoms persist throughout the year. The causes are usually air-borne allergens, particularly dusts, feathers, molds, animal fur, etc. | 0 | 2.02 | 1 | 0 |
| Gingival Hyperplasia Non-inflammatory enlargement of the gingivae produced by factors other than local irritation. It is characteristically due to an increase in the number of cells. (From Jablonski's Dictionary of Dentistry, 1992, p400) | 0 | 2.02 | 1 | 0 |
| Anochlesia [description not available] | 0 | 2.02 | 1 | 0 |
| Mucositis, Oral [description not available] | 0 | 3.48 | 8 | 0 |
| Stomatitis INFLAMMATION of the soft tissues of the MOUTH, such as MUCOSA; PALATE; GINGIVA; and LIP. | 0 | 3.48 | 8 | 0 |
| Infections, Nematomorpha [description not available] | 0 | 2.02 | 1 | 0 |
| Helminthiasis Infestation with parasitic worms of the helminth class. | 0 | 2.02 | 1 | 0 |
| Exanthem [description not available] | 0 | 2.02 | 1 | 0 |
| Exanthema Diseases in which skin eruptions or rashes are a prominent manifestation. Classically, six such diseases were described with similar rashes; they were numbered in the order in which they were reported. Only the fourth (Duke's disease), fifth (ERYTHEMA INFECTIOSUM), and sixth (EXANTHEMA SUBITUM) numeric designations survive as occasional synonyms in current terminology. | 0 | 2.02 | 1 | 0 |
| Anal Fistula [description not available] | 0 | 3.41 | 1 | 1 |
| Foreign Bodies Inanimate objects that become enclosed in the body. | 0 | 2.37 | 2 | 0 |
| Inguinal Hernia [description not available] | 0 | 2.03 | 1 | 0 |
| Infection, Postoperative Wound [description not available] | 0 | 2.03 | 1 | 0 |
| Hernia, Inguinal An abdominal hernia with an external bulge in the GROIN region. It can be classified by the location of herniation. Indirect inguinal hernias occur through the internal inguinal ring. Direct inguinal hernias occur through defects in the ABDOMINAL WALL (transversalis fascia) in Hesselbach's triangle. The former type is commonly seen in children and young adults; the latter in adults. | 0 | 2.03 | 1 | 0 |
| Cancer, Radiation-Induced [description not available] | 0 | 2.94 | 1 | 0 |
| Cancer of the Urethra [description not available] | 0 | 2.02 | 1 | 0 |
| Urethral Neoplasms Cancer or tumors of the URETHRA. Benign epithelial tumors of the urethra usually consist of squamous and transitional cells. Primary urethral carcinomas are rare and typically of squamous cells. Urethral carcinoma is the only urological malignancy that is more common in females than in males. | 0 | 2.02 | 1 | 0 |
| Rhabdomyosarcoma A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9) | 0 | 2.02 | 1 | 0 |
| Adhesions, Tissue [description not available] | 0 | 2.03 | 1 | 0 |
| Disease, Pulmonary [description not available] | 0 | 2.66 | 3 | 0 |
| Lung Diseases Pathological processes involving any part of the LUNG. | 0 | 2.66 | 3 | 0 |
| Lichen Ruber Planus [description not available] | 0 | 3.08 | 5 | 0 |
| Lichen Planus An inflammatory, pruritic disease of the skin and mucous membranes, which can be either generalized or localized. It is characterized by distinctive purplish, flat-topped papules having a predilection for the trunk and flexor surfaces. The lesions may be discrete or coalesce to form plaques. Histologically, there is a saw-tooth pattern of epidermal hyperplasia and vacuolar alteration of the basal layer of the epidermis along with an intense upper dermal inflammatory infiltrate composed predominantly of T-cells. Etiology is unknown. | 0 | 8.08 | 5 | 0 |
| Proctitis INFLAMMATION of the MUCOUS MEMBRANE of the RECTUM, the distal end of the large intestine (INTESTINE, LARGE). | 0 | 2.92 | 4 | 0 |
| Sarcoma 180 An experimental sarcoma of mice. | 0 | 3.07 | 5 | 0 |
| Bright Disease A historical classification which is no longer used. It described acute glomerulonephritis, acute nephritic syndrome, or acute nephritis. Named for Richard Bright. | 0 | 1.96 | 1 | 0 |
| Glomerulonephritis Inflammation of the renal glomeruli (KIDNEY GLOMERULUS) that can be classified by the type of glomerular injuries including antibody deposition, complement activation, cellular proliferation, and glomerulosclerosis. These structural and functional abnormalities usually lead to HEMATURIA; PROTEINURIA; HYPERTENSION; and RENAL INSUFFICIENCY. | 0 | 1.96 | 1 | 0 |
| Atopic Hypersensitivity [description not available] | 0 | 2.37 | 2 | 0 |
| Diseases, Occupational [description not available] | 0 | 4.38 | 8 | 0 |
| Abrasion, Dental [description not available] | 0 | 2.36 | 2 | 0 |
| Experimental Hepatoma [description not available] | 0 | 1.98 | 1 | 0 |
| Reticulum Cell-Like Sarcoma, Yoshida [description not available] | 0 | 1.98 | 1 | 0 |
| Lymph Node Metastasis [description not available] | 0 | 1.98 | 1 | 0 |
| Blood Poisoning [description not available] | 0 | 1.98 | 1 | 0 |
| Endotoxin Shock [description not available] | 0 | 1.98 | 1 | 0 |
| Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION. | 0 | 1.98 | 1 | 0 |
| Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status. | 0 | 1.98 | 1 | 0 |
| Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK. | 0 | 1.98 | 1 | 0 |
| Dental Plaque A film that attaches to teeth, often causing DENTAL CARIES and GINGIVITIS. It is composed of MUCINS, secreted from salivary glands, and microorganisms. | 0 | 9.75 | 7 | 1 |
| Eye Cancer, Retinoblastoma [description not available] | 0 | 2.39 | 2 | 0 |
| Retinoblastoma A malignant tumor arising from the nuclear layer of the retina that is the most common primary tumor of the eye in children. The tumor tends to occur in early childhood or infancy and may be present at birth. The majority are sporadic, but the condition may be transmitted as an autosomal dominant trait. Histologic features include dense cellularity, small round polygonal cells, and areas of calcification and necrosis. An abnormal pupil reflex (leukokoria); NYSTAGMUS, PATHOLOGIC; STRABISMUS; and visual loss represent common clinical characteristics of this condition. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2104) | 0 | 2.39 | 2 | 0 |
| Eye Disorders [description not available] | 0 | 1.98 | 1 | 0 |
| Eye Diseases Diseases affecting the eye. | 0 | 1.98 | 1 | 0 |
| Tooth Discoloration Any change in the hue, color, or translucency of a tooth due to any cause. Restorative filling materials, drugs (both topical and systemic), pulpal necrosis, or hemorrhage may be responsible. (Jablonski, Dictionary of Dentistry, 1992, p253) | 0 | 3.37 | 1 | 1 |
| Herpes Simplex Virus Infection [description not available] | 0 | 1.98 | 1 | 0 |
| Herpes Simplex Keratitis [description not available] | 0 | 1.98 | 1 | 0 |
| Herpes Simplex A group of acute infections caused by herpes simplex virus type 1 or type 2 that is characterized by the development of one or more small fluid-filled vesicles with a raised erythematous base on the skin or mucous membrane. It occurs as a primary infection or recurs due to a reactivation of a latent infection. (Dorland, 27th ed.) | 0 | 1.98 | 1 | 0 |
| Keratitis, Herpetic A superficial, epithelial Herpesvirus hominis infection of the cornea, characterized by the presence of small vesicles which may break down and coalesce to form dendritic ulcers (KERATITIS, DENDRITIC). (Dictionary of Visual Science, 3d ed) | 0 | 1.98 | 1 | 0 |
| Bladder Cancer [description not available] | 0 | 1.98 | 1 | 0 |
| Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER. | 0 | 1.98 | 1 | 0 |
| Prosthesis Durability [description not available] | 0 | 3.08 | 5 | 0 |
| Female Genital Diseases [description not available] | 0 | 1.98 | 1 | 0 |
| Genital Diseases, Female Pathological processes involving the female reproductive tract (GENITALIA, FEMALE). | 0 | 1.98 | 1 | 0 |
| Coronary Heart Disease [description not available] | 0 | 1.99 | 1 | 0 |
| Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels. | 0 | 1.99 | 1 | 0 |
| Alveolar Bone Atrophy [description not available] | 0 | 2.39 | 2 | 0 |
| Maxillary Diseases Diseases involving the MAXILLA. | 0 | 1.99 | 1 | 0 |
| Cystitis Inflammation of the URINARY BLADDER, either from bacterial or non-bacterial causes. Cystitis is usually associated with painful urination (dysuria), increased frequency, urgency, and suprapubic pain. | 0 | 1.98 | 1 | 0 |
| Hyperoxia An abnormal increase in the amount of oxygen in the tissues and organs. | 0 | 1.99 | 1 | 0 |
| Experimental Leukemia [description not available] | 0 | 2.66 | 3 | 0 |
| Itching [description not available] | 0 | 1.99 | 1 | 0 |
| Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief. | 0 | 1.99 | 1 | 0 |
| Angioneurotic Edema [description not available] | 0 | 1.99 | 1 | 0 |
| Angioedema Swelling involving the deep DERMIS, subcutaneous, or submucosal tissues, representing localized EDEMA. Angioedema often occurs in the face, lips, tongue, and larynx. | 0 | 1.99 | 1 | 0 |
| Hemorrhagic Shock [description not available] | 0 | 2 | 1 | 0 |
| Foreign-Body Granuloma [description not available] | 0 | 2 | 1 | 0 |
| Cancer of the Retina [description not available] | 0 | 2 | 1 | 0 |
| Complication, Intraoperative [description not available] | 0 | 2 | 1 | 0 |
| Adverse Drug Event [description not available] | 0 | 2 | 1 | 0 |
| Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals. | 0 | 2 | 1 | 0 |
| Angle Class III [description not available] | 0 | 2 | 1 | 0 |
| Attrition, Dental [description not available] | 0 | 2 | 1 | 0 |
| Acute Disease Disease having a short and relatively severe course. | 0 | 2.38 | 2 | 0 |
| Central Nervous System Disease [description not available] | 0 | 2.92 | 1 | 0 |
| Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord. | 0 | 2.92 | 1 | 0 |
| Neoplasms, Squamous Cell Neoplasms of the SQUAMOUS EPITHELIAL CELLS. The concept does not refer to neoplasms located in tissue composed of squamous elements. | 0 | 2 | 1 | 0 |
| Graft Occlusion, Vascular Obstruction of flow in biological or prosthetic vascular grafts. | 0 | 2 | 1 | 0 |
| Blood Diseases [description not available] | 0 | 1.95 | 1 | 0 |
| Hematologic Diseases Disorders of the blood and blood forming tissues. | 0 | 1.95 | 1 | 0 |
| Myeloproliferative Disorders Conditions which cause proliferation of hemopoietically active tissue or of tissue which has embryonic hemopoietic potential. They all involve dysregulation of multipotent MYELOID PROGENITOR CELLS, most often caused by a mutation in the JAK2 PROTEIN TYROSINE KINASE. | 0 | 1.95 | 1 | 0 |
| Leukocytopenia [description not available] | 0 | 2.35 | 2 | 0 |
| Leukopenia A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000). | 0 | 7.35 | 2 | 0 |
| Poisoning Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure. | 0 | 2.35 | 2 | 0 |
| Manganese Poisoning Manganese poisoning is associated with chronic inhalation of manganese particles by individuals who work with manganese ore. Clinical features include CONFUSION; HALLUCINATIONS; and an extrapyramidal syndrome (PARKINSON DISEASE, SECONDARY) that includes rigidity; DYSTONIA; retropulsion; and TREMOR. (Adams, Principles of Neurology, 6th ed, p1213) | 0 | 2.64 | 3 | 0 |
| Arrhythmia [description not available] | 0 | 1.95 | 1 | 0 |
| Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction. | 0 | 1.95 | 1 | 0 |
| Hand Dermatosis [description not available] | 0 | 2.38 | 2 | 0 |
| Hand Dermatoses Skin diseases involving the HANDS. | 0 | 2.38 | 2 | 0 |
| Porphyria [description not available] | 0 | 6.98 | 1 | 0 |
| Colicky Pain [description not available] | 0 | 1.98 | 1 | 0 |
| Porphyrias A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues. | 0 | 1.98 | 1 | 0 |
| Abdominal Pain Sensation of discomfort, distress, or agony in the abdominal region. | 0 | 1.98 | 1 | 0 |
| Pocket, Periodontal [description not available] | 0 | 1.97 | 1 | 0 |
| Periodontal Pocket An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption. | 0 | 1.97 | 1 | 0 |
| Epulides [description not available] | 0 | 3.76 | 2 | 1 |
| Gingival Diseases Diseases involving the GINGIVA. | 0 | 3.76 | 2 | 1 |
| Bagassosis A diffuse parenchymal lung disease caused by inhaled dust from processing SUGARCANE (bagasse), usually in the manufacturing of wallboard. | 0 | 2.38 | 2 | 0 |
| Pneumoconiosis A diffuse parenchymal lung disease caused by inhalation of dust and by tissue reaction to their presence. These inorganic, organic, particulate, or vaporized matters usually are inhaled by workers in their occupational environment, leading to the various forms (ASBESTOSIS; BYSSINOSIS; and others). Similar air pollution can also have deleterious effects on the general population. | 0 | 7.38 | 2 | 0 |
| Mandibular Diseases Diseases involving the MANDIBLE. | 0 | 1.97 | 1 | 0 |
| Hemorrhage, Gingival [description not available] | 0 | 1.97 | 1 | 0 |
| Gingival Hemorrhage The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY. | 0 | 1.97 | 1 | 0 |
| Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries. | 0 | 2.88 | 1 | 0 |
| Carbohydrate Metabolism, Inborn Error [description not available] | 0 | 1.95 | 1 | 0 |
| Cancer of the Vulva [description not available] | 0 | 1.94 | 1 | 0 |
| Vulvar Neoplasms Tumors or cancer of the VULVA. | 0 | 1.94 | 1 | 0 |
| Injuries Used with anatomic headings, animals, and sports for wounds and injuries. Excludes cell damage, for which pathology is used. | 0 | 1.95 | 1 | 0 |
| Wounds and Injuries Damage inflicted on the body as the direct or indirect result of an external force, with or without disruption of structural continuity. | 0 | 1.95 | 1 | 0 |
| Poisoning, Mercury [description not available] | 0 | 2.86 | 1 | 0 |
| Mercury Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of MERCURY or MERCURY COMPOUNDS. | 0 | 2.86 | 1 | 0 |
| Leukoma [description not available] | 0 | 1.94 | 1 | 0 |
| Corneal Opacity Disorder occurring in the central or peripheral area of the cornea. The usual degree of transparency becomes relatively opaque. | 0 | 1.94 | 1 | 0 |
| Idiopathic Parkinson Disease [description not available] | 0 | 1.95 | 1 | 0 |
| Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75) | 0 | 1.95 | 1 | 0 |
| EHS Tumor [description not available] | 0 | 1.94 | 1 | 0 |
| Fasting Hypoglycemia HYPOGLYCEMIA expressed in the postabsorptive state, after prolonged FASTING, or an overnight fast. | 0 | 1.94 | 1 | 0 |
| Hypoglycemia A syndrome of abnormally low BLOOD GLUCOSE level. Clinical hypoglycemia has diverse etiologies. Severe hypoglycemia eventually lead to glucose deprivation of the CENTRAL NERVOUS SYSTEM resulting in HUNGER; SWEATING; PARESTHESIA; impaired mental function; SEIZURES; COMA; and even DEATH. | 0 | 1.94 | 1 | 0 |
| Trichomoniasis, Human [description not available] | 0 | 1.94 | 1 | 0 |
| Trichomonas Vaginitis Inflammation of the vagina, marked by a purulent discharge. This disease is caused by the protozoan TRICHOMONAS VAGINALIS. | 0 | 1.94 | 1 | 0 |
| Amino Acid Metabolism Disorders, Inborn [description not available] | 0 | 1.94 | 1 | 0 |
| Xeroderma [description not available] | 0 | 1.94 | 1 | 0 |
| Ichthyosis Any of several generalized skin disorders characterized by dryness, roughness, and scaliness, due to hypertrophy of the stratum corneum epidermis. Most are genetic, but some are acquired, developing in association with other systemic disease or genetic syndrome. | 0 | 1.94 | 1 | 0 |
| Cancer of the Uterus [description not available] | 0 | 1.94 | 1 | 0 |
| Uterine Neoplasms Tumors or cancer of the UTERUS. | 0 | 1.94 | 1 | 0 |