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methyl 3,5-di-O-caffeoyl quinate
A carboxylic ester obtained by the formal condensation of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > protective agent [CHEBI:50267] > hepatoprotective agent [CHEBI:62868] > methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 protective agent [CHEBI:50267] (74) 
 hepatoprotective agent [CHEBI:62868] (19) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 methyl 3,5-di-O-caffeoyl quinate [CHEBI:66708] (1)
ChEBI Compound Accession Identifier  [CHEBI:66708]
ChEBI Compound Description  A carboxylic ester obtained by the formal condensation of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.
ChEBI Compound Identification Number  66708
ChEBI InChI Value  InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
ChEBI InChIKey Value  VEBNYMXKXIIGFX-VOHNXBSUSA-N
ChEBI Compound Name  methyl 3,5-di-O-caffeoyl quinate
ChEBI SMILES Value  COC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1
ChEBI Substance ID  160710475
ChEBI URL  ChEBI:66708
ChemSpider ID  8251219
Ontomatica Chemical Accession Key (OnChAKey)  VEBNYMXKXIIGFX_VOHNXBSUSA_N_000_000000
PubChem Compound ID  10075681