Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:34 UTC |
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Update date | 2019-11-26 02:54:50 UTC |
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Primary ID | FDB000453 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Theophylline |
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Description | Theophylline, also known as uniphyl or aerolate, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Theophylline is an extremely weak basic (essentially neutral) compound (based on its pKa). Theophylline is a bitter tasting compound. Theophylline is found, on average, in the highest concentration within cocoa beans and tea. Theophylline has also been detected, but not quantified in, several different foods, such as arabica coffee, guarana, lemons, pummelo, and robusta coffee. This could make theophylline a potential biomarker for the consumption of these foods. Theophylline is a potentially toxic compound. |
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CAS Number | 58-55-9 |
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Structure | |
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Synonyms | Synonym | Source |
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1,3-Dimethyl-7H-purine-2,6-dione | ChEBI | 1,3-Dimethylxanthine | ChEBI | Elixophyllin | ChEBI | Respbid | ChEBI | Theo-dur | ChEBI | Theolair | ChEBI | Theophyllin | ChEBI | Theophylline anhydrous | ChEBI | Uniphyl | ChEBI | Quibron-t | Kegg | Theo-24 | Kegg | Theodur g | Kegg | Accurbron | HMDB | Acet-theocin | HMDB | Aerolate | HMDB | Aerolate III | HMDB | Aerolate SR | HMDB | Aminophylline | HMDB | Aquaphyllin | HMDB | Armophylline | HMDB | Asbron | HMDB | Asmax | HMDB | Austyn | HMDB | Bronkodyl | HMDB | Bronkodyl SR | HMDB | Choledyl sa | HMDB | Constant-T | HMDB | Diphyllin | HMDB | Doraphyllin | HMDB | Duraphyl | HMDB | Dyspne-inhal | HMDB | Elixex | HMDB | Elixicon | HMDB | Elixomin | HMDB | Elixophyllin SR | HMDB | Elixophylline | HMDB | Euphylline | HMDB | Euphylong | HMDB | Labid | HMDB | Lanophyllin | HMDB | Liquophylline | HMDB | Liquorice | HMDB | Maphylline | HMDB | Medaphyllin | HMDB | Nuelin | HMDB | Optiphyllin | HMDB | Parkophyllin | HMDB | Pseudotheophylline | HMDB | Quibron t/sr | HMDB | Quibron-t/sr | HMDB | Slo-bid | HMDB | Slo-phyllin | HMDB | Solosin | HMDB | Somophyllin-CRT | HMDB | Somophyllin-DF | HMDB | Somophyllin-T | HMDB | Spophyllin retard | HMDB | Sustaire | HMDB | Synophylate | HMDB | Synophylate-l.a. cenules | HMDB | T-Phyl | HMDB | Tefamin | HMDB | Teofilina | HMDB | Teofyllamin | HMDB | Teolair | HMDB | Theacitin | HMDB | Theal tabl. | HMDB | Theal tablets | HMDB | Theo-dur-sprinkle | HMDB | Theobid | HMDB | Theobid jr. | HMDB | Theochron | HMDB | Theocin | HMDB | Theoclair-SR | HMDB | Theoclear 80 | HMDB | Theoclear l.a.-130 | HMDB | Theoclear la | HMDB | Theoclear-200 | HMDB | Theoclear-80 | HMDB | Theocontin | HMDB | Theodel | HMDB | Theofol | HMDB | Theograd | HMDB | Theolair-SR | HMDB | Theolix | HMDB | Theolixir | HMDB | Theona p | HMDB | Theophyl | HMDB | Theophyl-225 | HMDB | Theophyl-SR | HMDB | Theophyline | HMDB | Theophylline-SR | HMDB | Theostat 80 | HMDB | Theovent | HMDB | Uni-dur | HMDB | Unifyl | HMDB | Uniphyllin | HMDB | Xanthium | HMDB | Xantivent | HMDB | Aerobin | HMDB | Bronchoparat | HMDB | Glycine theophyllinate | HMDB | Nuelin s.a. | HMDB | Slo phyllin | HMDB | SloPhyllin | HMDB | Somophyllin T | HMDB | Theo24 | HMDB | Theoconfin continuous | HMDB | Theonite | HMDB | CT Arzneimittel brand OF theophylline sodium glycinate | HMDB | Von CT, theo | HMDB | Mundipharma brand OF theophylline sodium glycinate | HMDB | Quibron T SR | HMDB | Quibron T-SR | HMDB | Sodium glycinate, theophylline | HMDB | Theo 24 | HMDB | Theophyllinate, glycine | HMDB | Theophylline sodium glycinate | HMDB | Theospan | HMDB | Uniphylline | HMDB | CT-Arzneimittel brand OF theophylline sodium glycinate | HMDB | ConstantT | HMDB | Fameasan brand OF theophylline sodium glycinate | HMDB | Lodrane | HMDB | Monospan | HMDB | Quibron TSR | HMDB | Theodur | HMDB | Theon | HMDB | Theopek | HMDB | Theostat | HMDB | CT, Theo von | HMDB | Theo von CT | HMDB | 1,3 Dimethylxanthine | HMDB | 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione | HMDB | Afonilum retard | HMDB | Anhydrous, theophylline | HMDB | Constant T | HMDB | Fujisawa brand OF theophylline sodium glycinate | HMDB | Glycinate, theophylline sodium | HMDB | SomophyllinT | HMDB | Theo dur | HMDB | 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine | biospider | 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione | biospider | 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione | biospider | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl- | biospider | 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl- | biospider | 2,6-Dihydroxy-1,3-dimethylpurine | biospider | 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, 9CI | db_source | Aerolate sr | HMDB | Bronkodyl sr | HMDB | Constant-t | HMDB | Elixophyllin sr | HMDB | Labophylline | biospider | Mudrane | biospider | Purine-2,6(1H,3H)-dione, 1,3-dimethyl- | biospider | Slophyllin | biospider | Somophyllin-crt | HMDB | Somophyllin-df | HMDB | Somophyllin-t | HMDB | T-phyl | HMDB | Teonova | db_source | Theoclair-sr | HMDB | Theokin | biospider | Theolair-sr | HMDB | Theona P | HMDB | Theophyl-sr | HMDB | Theophylline-sr | HMDB | Xanthine, 1,3-dimethyl- | biospider |
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Predicted Properties | |
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Chemical Formula | C7H8N4O2 |
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IUPAC name | 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
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InChI Identifier | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
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InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
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Isomeric SMILES | CN1C2=C(NC=N2)C(=O)N(C)C1=O |
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Average Molecular Weight | 180.164 |
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Monoisotopic Molecular Weight | 180.06472552 |
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Classification |
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Description | Belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Imidazopyrimidines |
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Sub Class | Purines and purine derivatives |
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Direct Parent | Xanthines |
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Alternative Parents | |
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Substituents | - Xanthine
- 6-oxopurine
- Purinone
- Alkaloid or derivatives
- Pyrimidone
- Pyrimidine
- Azole
- Imidazole
- Heteroaromatic compound
- Vinylogous amide
- Lactam
- Urea
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Health effect: |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Foods | Cocoa and cocoa products Beverages: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 46.67%; H 4.48%; N 31.10%; O 17.76% | DFC |
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Melting Point | Mp 264° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 7.36 mg/mL at 25 oC | YALKOWSKY,SH & HE,Y (2003) |
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Experimental logP | -0.02 | HANSCH,C ET AL. (1995) |
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Experimental pKa | pKa2 8.6 (25°) | DFC |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-00lr-9500000000-2c8464c2fe84464c207f | 2014-09-20 | View Spectrum | GC-MS | Theophylline, 1 TMS, GC-MS Spectrum | splash10-0f79-6970000000-224461ad62a44dbdf860 | Spectrum | GC-MS | Theophylline, non-derivatized, GC-MS Spectrum | splash10-001j-7900000000-a08735d528e738752429 | Spectrum | GC-MS | Theophylline, non-derivatized, GC-MS Spectrum | splash10-001i-0900000000-d0882f7d959c726e7623 | Spectrum | GC-MS | Theophylline, non-derivatized, GC-MS Spectrum | splash10-001i-9700000000-8d0e1898a6571fbca10a | Spectrum | GC-MS | Theophylline, non-derivatized, GC-MS Spectrum | splash10-0f79-6970000000-224461ad62a44dbdf860 | Spectrum | Predicted GC-MS | Theophylline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fka-4900000000-878cab6882fd80efba3b | Spectrum | Predicted GC-MS | Theophylline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00di-0900000000-0092516012d6a2a93b31 | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-00di-4900000000-dcf52c18a6996f412b1a | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-00kf-9000000000-09089337909892ef44cb | 2012-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - EI-B (Unknown) , Positive | splash10-001j-7900000000-a08735d528e738752429 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - CI-B (Unknown) , Positive | splash10-001i-0900000000-d0882f7d959c726e7623 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-004i-0900000000-c4943571126a44bb9e5a | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-004i-0900000000-bc12ce29acd02fa749b8 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-03k9-0900000000-d63f60043f186fbb9bc0 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative | splash10-070l-4900000000-d293ab2fa6199dbaf97a | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative | splash10-05ru-9400000000-dde4775588d52c83806f | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-004i-0900000000-556e382f583d610ef1f0 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-004i-0900000000-89e34f5158856ba33469 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-03k9-0900000000-65a6897d72954e875b00 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative | splash10-070l-4900000000-df16604bd6c40cee8f24 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative | splash10-05r3-9500000000-39a721dcecc86ed95507 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-001i-1900000000-e67ff7ef9a955b90eb3f | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-001i-3900000000-1870952d98dbba22ace8 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-00di-7900000000-dc0e9606776c43a7823f | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-014j-9300000000-2c4c6490dda3ed3b563f | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-014i-9000000000-26a6c0c23a465afdcde1 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-01q9-1900000000-b11ca3441bb29fef1906 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-0002-9400000000-63726fe0b49a9dc6ba7e | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-00di-9100000000-139f765bc9b5855960c6 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-00di-9000000000-88b5cb393b960973ac64 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-00yi-9000000000-1ebbddce3c7133972546 | 2012-08-31 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 15.09 MHz, DMSO-d6, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | | Spectrum |
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External Links |
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ChemSpider ID | 2068 |
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ChEMBL ID | CHEMBL190 |
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KEGG Compound ID | C07130 |
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Pubchem Compound ID | 2153 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 28177 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB00277 |
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HMDB ID | HMDB01889 |
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CRC / DFC (Dictionary of Food Compounds) ID | BCK73-S:BCK73-S |
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EAFUS ID | Not Available |
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Dr. Duke ID | THEOPHYLLINE| DIMETHYLXANTHINE |
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BIGG ID | Not Available |
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KNApSAcK ID | C00001510 |
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HET ID | TEP |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Theophylline |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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(+)-inotropic | | | DUKE | allergenic | 50904 | A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. | DUKE | anti apneic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti asthmatic | 49167 | A drug used to treat asthma. | DUKE | anti bradyarrhythmic | 38070 | A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. | DUKE | anti bronchitic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti cellulitic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | antidote | 50247 | Any protective agent counteracting or neutralizing the action of poisons. | DUKE | anti emphysemic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti neuralgic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti rhinitic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti spasmodic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti viral | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | arteriodilator | | | DUKE | bronchodilator | 35523 | An agent that causes an increase in the expansion of a bronchus or bronchial tubes. | DUKE | cAMP inhibitor | 35222 | A substance that diminishes the rate of a chemical reaction. | DUKE | cAMP-phosphodiesterase inhibitor | 23924 | A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. | DUKE | cardiovascular | 38070 | A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. | DUKE | cGMP inhibitor | 35222 | A substance that diminishes the rate of a chemical reaction. | DUKE | cGMP-phosphodiesterase inhibitor | 23924 | A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. | DUKE | choleretic | | | DUKE | central nervous system stimulant | 35470 | A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. | DUKE | diuretic | 35498 | An agent that promotes the excretion of urine through its effects on kidney function. | DUKE | fetotoxic | 52209 | A role played by the molecular entity or part thereof which causes the development of a pathological process. | DUKE | herbicide | 24527 | A substance used to destroy plant pests. | DUKE | hypertensive | | | DUKE | hyperuricemic | | | DUKE | hypoglycemic | 35526 | A drug which lowers the blood glucose level. | DUKE | myocardiotonic | 38070 | A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. | DUKE | myorelaxant | | | DUKE | pesticide | 25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | DUKE | prostaglandin secretor | | | DUKE | stimulant | | | DUKE | tachycardic | 38070 | A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. | DUKE | teratogenic | 50905 | A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. | DUKE | vasodilator | 35620 | A drug used to cause dilation of the blood vessels. | DUKE |
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Enzymes | Name | Gene Name | UniProt ID |
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Adenosine deaminase | ADA | P00813 | Adenosine receptor A1 | ADORA1 | P30542 | Adenosine receptor A2a | ADORA2A | P29274 | Adenosine receptor A2b | ADORA2B | P29275 |
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Pathways | |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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bitter |
- Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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