| 2D Structure | |
| CID | 5281780 |
| Target | APP |
| IUPAC Name | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChI Key | UFCLZKMFXSILNL-PSEXTPKNSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.4 |
| synonyms | ['4,5-Dicqa', '4,5-Dicaffeoylquinic acid', '89886-31-7', '45777W94HK', 'UNII-45777W94HK', 'Cyclohexanecarboxylic acid, 3,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-', '4,5-Di-o-caffeoylquinic acid', '57378-72-0', 'Isochlorogenic acid b', '(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid', '3,4-Di-O-Caffeoylquinic acid', 'CHEBI:5995', 'CHEMBL249448', 'Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-', 'Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-', 'IsochlorogenicacidB', '102851-07-0', 'Isochlorogenic-acid-B', '3,4-dicaffeoylquinate', 'Isochlorogenic acid B?', '3,4-Dicaffeoylquinicacid', 'Rel-3,4-Dicaffeoylquinic Acid', '4,5-Di-O-caffeoylquinic acid?', 'Quinic acid 3,4-di-O-caffeate', 'SCHEMBL12246115', 'SCHEMBL29350592', 'SCHEMBL29385792', 'SCHEMBL30870426', 'ACon1_002212', 'GTPL12549', 'HY-N0057R', 'GLXC-13081', 'HY-N0057', 'MSK15168', 'BDBM50362838', 's9274', '3,4-Dicaffeoylquinic acid (Standard)', 'AKOS026673963', 'CCG-269822', 'CS-3769', 'FD40706', 'NCGC00179718-01', '1ST15168', 'AS-74985', 'NS00097363', 'Q27106970', '3,4-Di-O-caffeoylquinic acid, >=90% (LC/MS-ELSD)', '(1| inverted exclamation mark,3R,4| inverted exclamation mark,5R)-3,5-Bis(((E)-3-(3,4-Dihydroxyphenyl)Acryloyl)Oxy)-1,4-Dihydroxycyclohexanecarboxylic Acid', '(1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid', '(1S,3R,4R,5R)-3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid', '(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid'] |
From Pubchem