Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:26 UTC |
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Update date | 2020-09-17 15:39:09 UTC |
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Primary ID | FDB002582 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Chlorogenic acid |
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Description | Chlorogenic acid, also known as chlorogenate or 3-caffeoylquinate, belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Chlorogenic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Chlorogenic acid has been detected, but not quantified in, several different foods, such as limes, cocoa beans, celery leaves, caraway, and epazotes. This could make chlorogenic acid a potential biomarker for the consumption of these foods. |
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CAS Number | 327-97-9 |
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Structure | |
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Synonyms | Synonym | Source |
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3-(3,4-Dihydroxycinnamoyl)quinic acid | ChEBI | 3-Caffeoylquinic acid | ChEBI | 3-O-Caffeoylquinic acid | ChEBI | 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid | ChEBI | [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid | ChEBI | Caffeoyl quinic acid | ChEBI | Chlorogenate | ChEBI | trans-5-O-Caffeoyl-D-quinate | ChEBI | 3-(3,4-Dihydroxycinnamoyl)quinate | Generator | 3-Caffeoylquinate | Generator | 3-O-Caffeoylquinate | Generator | 5-O-(3,4-Dihydroxycinnamoyl)-L-quinate | Generator | [1S-(1a,3b,4a,5a)]3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylate | Generator | [1S-(1a,3b,4a,5a)]3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid | Generator | [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylate | Generator | [1S-(1Α,3β,4α,5α)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylate | Generator | [1S-(1Α,3β,4α,5α)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid | Generator | Caffeoyl quinate | Generator | trans-5-O-Caffeoyl-D-quinic acid | Generator | 3 Caffeoylquinic acid | MeSH | Acid, 3-caffeoylquinic | MeSH | Acid, chlorogenic | MeSH | 3-trans-Caffeoylquinic acid | HMDB | Heriguard | HMDB | Hlorogenate | HMDB | Hlorogenic acid | HMDB | (-)-5-Caffeoyl quinic acid | PhytoBank | 5-O-(E)-Caffeoylquinic acid | PhytoBank | 5-trans-O-Caffeoylquinic acid | PhytoBank | trans-3-O-Caffeoylquinic acid | PhytoBank | trans-Caffeic acid 5-O-D-quinate | PhytoBank | trans-Chlorogenic acid | PhytoBank | 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid | PhytoBank | 5-Chlorogenic acid | PhytoBank | Caffeoylquinic acid | PhytoBank | [1S-(1α,3β,4α,5α)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylate | Generator | [1S-(1α,3β,4α,5α)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid | Generator | 5-Caffeoylquinic acid? | manual | 5-O-Caffeoylquinic acid? | manual | Caffetannic acid | db_source | Chlorogenic acid | db_source | Helianthic acid | db_source |
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Predicted Properties | |
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Chemical Formula | C16H18O9 |
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IUPAC name | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
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InChI Identifier | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
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InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
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Isomeric SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O |
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Average Molecular Weight | 354.3087 |
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Monoisotopic Molecular Weight | 354.095082174 |
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Classification |
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Description | Belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, And 5, as well as a carboxylic acid at position 1. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent | Quinic acids and derivatives |
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Alternative Parents | |
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Substituents | - Quinic acid
- Cinnamic acid or derivatives
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Cinnamic acid ester
- Catechol
- Styrene
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Cyclohexanol
- Fatty acid ester
- Phenol
- Fatty acyl
- Hydroxy acid
- Benzenoid
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Alpha-hydroxy acid
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Tertiary alcohol
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Foods | Fruits and vegetables: Beverages: |
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Physico-Chemical Properties - Experimental |
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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 54.24%; H 5.12%; O 40.64% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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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 | 325 () (EtOH) (Berdy) | DFC |
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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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GC-MS | Chlorogenic acid, non-derivatized, GC-MS Spectrum | splash10-052b-0975000000-7ff0681e9983191145ac | Spectrum | GC-MS | Chlorogenic acid, non-derivatized, GC-MS Spectrum | splash10-052b-0975000000-25fbc0fd86e2102b1846 | Spectrum | GC-MS | Chlorogenic acid, 6 TMS, GC-MS Spectrum | splash10-0a4j-1897000000-1bf40e61c8b016f6d1fe | Spectrum | GC-MS | Chlorogenic acid, non-derivatized, GC-MS Spectrum | splash10-052b-0975000000-7ff0681e9983191145ac | Spectrum | GC-MS | Chlorogenic acid, non-derivatized, GC-MS Spectrum | splash10-052b-0975000000-25fbc0fd86e2102b1846 | Spectrum | GC-MS | Chlorogenic acid, non-derivatized, GC-MS Spectrum | splash10-0a4j-1897000000-1bf40e61c8b016f6d1fe | Spectrum | Predicted GC-MS | Chlorogenic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000l-9424000000-5a5e7a151673f74acf94 | Spectrum | Predicted GC-MS | Chlorogenic acid, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-3322039000-dccdea510eeadb723d61 | Spectrum | Predicted GC-MS | Chlorogenic acid, 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) | splash10-03di-0900000000-c967ed2de6bc445ffb02 | 2012-07-25 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-03di-0900000000-4fb0aa23529c84f7e829 | 2012-07-25 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-029j-1900000000-7ae6eafda8c4a3c22517 | 2012-07-25 | View Spectrum | MS/MS | LC-MS/MS Spectrum - FD-B (Unknown) , Positive | splash10-0udi-0009000000-378f6298ca0416519525 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-0udi-0009000000-0b3427977e0c1f9d6a75 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-0006-0901000000-e3869338c5312cfd01a2 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-0006-0900000000-4f7df62a909594e8dabf | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative | splash10-0006-0900000000-4438cf2b7d3dd0ca06a4 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative | splash10-000f-3900000000-a7982b43b83d191b2651 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-08fr-0927000000-708aeb0e652c03f8b1db | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-03di-0900000000-ae6e117173e672cfa4e8 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-03di-0900000000-9847301060b85490005a | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-03di-0900000000-2bcf6303448c0b3ed50a | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-00li-2900000000-0943d4e9b9fc1a7d947f | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive | splash10-03di-0900000000-6d376727bd1d633ce205 | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive | splash10-01ot-0900000000-8515e331dca6691469af | 2012-08-31 | View Spectrum | MS/MS | LC-MS/MS Spectrum - DI-ESI-qTof , Negative | splash10-000i-0900000000-21182fce172fa6b497d0 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-03di-2900000000-0cab1210002740e149b4 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-0udl-0609000000-83c24cdc722253a22133 | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0918000000-3ee17b66f5461b5349a2 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03g3-0902000000-adb0080c997613268656 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004j-1900000000-837dabfad86490278224 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0zfu-0519000000-d321b79970ee8839fc24 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-06vm-1922000000-410b2ca167dfdb9d0a54 | 2017-07-26 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-0900000000-090aec697972e64791aa | 2017-07-26 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, 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 | 1405788 |
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ChEMBL ID | CHEMBL284616 |
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KEGG Compound ID | C00852 |
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Pubchem Compound ID | 1794427 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16112 |
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Phenol-Explorer ID | 948 |
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DrugBank ID | Not Available |
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HMDB ID | HMDB03164 |
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CRC / DFC (Dictionary of Food Compounds) ID | CMM44-X:CMM44-X |
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EAFUS ID | Not Available |
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Dr. Duke ID | 3-O-CAFFEOYLQUINIC-ACID|CAFFEOYL-3-QUINIC-ACID|CHLOROGENIC-ACID|CAFFETANNIC-ACID |
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BIGG ID | Not Available |
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KNApSAcK ID | C00002724 |
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HET ID | Not Available |
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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 | Chlorogenic_acid |
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Phenol-Explorer Metabolite ID | 475 |
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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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aldose reductase inhibitor | 48550 | An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). | DUKE | allelochemic | | | 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 | analgesic | 35480 | An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. | DUKE | anti atherosclerotic | 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 bacterial | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | anti cancer | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | anti carcinogenic | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | anti diabetic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti Epstein-Barr virus | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | anti feedant | | | DUKE | anti genotoxic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti gonadotropic | | | DUKE | anti hemolytic | 50248 | Drug that acts on blood and blood-forming organs and those that affect the hemostatic system. | DUKE | anti hepatotoxic | 62868 | Any compound that is able to prevent damage to the liver. | DUKE | anti herpetic | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | anti histaminic | 37956 | Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. | DUKE | anti HIV | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | anti hypercholesterolemic | | | DUKE | anti hyperthyroid | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti inflammatory | 35472 | A substance that reduces or suppresses inflammation. | DUKE | anti legionella | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | anti leukotriene | 35222 | A substance that diminishes the rate of a chemical reaction. | DUKE | anti melanogenic | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | anti mutagenic | | | DUKE | anti nitrosaminic | | | DUKE | antioxidant | 22586 | A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. | DUKE | anti peroxidant | | | DUKE | anti polio | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | anti radicular | | | DUKE | anti septic | 33281 | A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. | DUKE | anti sunburn | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti thyroid | | | DUKE | antitumor | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | antitumor promoter | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | anti ulcer | 49201 | One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. | DUKE | anti viral | 22587 | A substance that destroys or inhibits replication of viruses. | DUKE | autotoxic | | | DUKE | cancer preventive | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | cardioprotective | 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 | chemopreventive | 35610 | A substance that inhibits or prevents the proliferation of neoplasms. | DUKE | cholagogue | | | DUKE | choleretic | | | DUKE | clastogenic | | | DUKE | central nervous system active | 35470 | A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. | 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 | collagen-sparing | | | DUKE | diuretic | 35498 | An agent that promotes the excretion of urine through its effects on kidney function. | DUKE | fungicide | 24127 | A substance used to destroy fungal pests. | DUKE | hepatoprotective | 62868 | Any compound that is able to prevent damage to the liver. | DUKE | histamine inhibitor | 37956 | Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. | DUKE | hypoglycemic | 35526 | A drug which lowers the blood glucose level. | DUKE | immunostimulant | 50847 | A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. | DUKE | insectifuge | 24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | DUKE | interferonogenic | | | DUKE | juvabional | | | DUKE | larvistat | | | DUKE | leukotriene inhibitor | 35222 | A substance that diminishes the rate of a chemical reaction. | DUKE | lipoxygenase inhibitor | 35856 | A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. | DUKE | metal chelator | 38161 | A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. | DUKE | nitric-oxide-genic | | | DUKE | ornithine-decarboxylase 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 | oviposition stimulant | | | 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 | sunscreen | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | sweetener | 50505 | Substance that sweeten food, beverages, medications, etc. | DUKE | vulnerary | 73336 | A drug used in treating and healing of wounds. | DUKE |
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Enzymes | Not Available |
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Pathways | Not Available |
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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 | Not Available |
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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 | — Rothwell JA, Pérez-Jiménez J, Neveu V, Medina-Ramon A, M'Hiri N, Garcia Lobato P, Manach C, Knox K, Eisner R, Wishart D, Scalbert A. (2013) Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content. Database, 10.1093/database/bat070. — 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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