| 2D Structure | |
| CID | 6474310 |
| Target | AKR1B1 , AKR1B10 , APP , EPHX2 |
| IUPAC Name | (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 |
| InChI Key | KRZBCHWVBQOTNZ-RDJMKVHDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.4 |
| synonyms | ['Isochlorogenic acid A', '2450-53-5', '3,5-Dicaffeoylquinic acid', '89919-62-0', '3,5-Di-O-caffeoylquinic acid', '3,5-Dicaffeoyl-epi-quinic acid', '(E,E)-3,5-Di-O-caffeoylquinic acid', '3,5-DCQA', '879305-14-3', 'Quinic acid 3,5-di-O-caffeate', '(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid', '3,5-dicaffeoylquinate', 'MFCD00951290', '(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid', '3,5-Dicaffeoylquininic acid', '3,5-DICQA', 'CJ 4-16-4', 'CJ-4-16-4', 'CHEMBL249447', 'ND94C5E75K', '3,5-di-O-caffeoyl quinic acid', 'CHEMBL4289566', 'CHEBI:65751', '(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid', '(E,E)-3,5-O-dicaffeoylquinic acid', '(1alpha,3R,4alpha,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid', '(1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate', '(3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexanecarboxylic acid', '3,5-O-dicaffeoylquinic acid', 'Isochlorogenic-acid-A', '3,5-H56:H75dicaffeoyl-epi-quinic acid', '3,5-Dicaffeoylquinicacid', 'UNII-ND94C5E75K', '3,5-di-O-Aaffeoylquinic acid', 'orb1297662', 'orb1302093', 'orb1984251', 'Rel-3,5-Dicaffeoylquinic Acid', 'CHEMBL4466054', 'SCHEMBL13567304', 'SCHEMBL20339739', 'SCHEMBL29383395', 'ACon1_002290', 'GTPL12548', 'HY-N0056R', 'DTXSID00424282', 'Isochlorogenic acid A (Standard)', 'HMS6018F04', 'HY-N0056', 'HY-N9895', 'MSK40155', 'BDBM50362839', 'BDBM50466107', 's9282', 'AKOS015903388', 'AKOS016007890', 'AKOS032948323', 'CCG-269821', 'CS-3768', 'FD41813', 'NCGC00169984-01', 'NCGC00169984-03', 'NCGC00390251-01', '(3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid', '1ST40155', 'BS-42212', 'DA-49507', 'DA-60222', 'DA-74544', 'PD197614', '3,5-DI-O-(E)-CAFFEOYLQUINIC ACID', 'CS-0204164', 'C22991', '3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD)', 'Q27134233', '(1.ALPHA.,3R,4.ALPHA.,5R)-3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID', '(1|A,3R,4|A,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid', '(1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid', '(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylicacid', '(1S,3R,4S,5R)-3,5-BIS(((E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL)OXY)-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID', 'CYCLOHEXANECARBOXYLIC ACID, 1,4-DIHYDROXY-3,5-BIS(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-', 'CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-', 'CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4-DIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.(E)))-'] |
From Pubchem