| 2D Structure | |
| CID | 6474309 |
| Target | AKR1B1 , AKR1B10 , APP |
| IUPAC Name | (1R,3R,4S,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-RVXRWRFUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.4 |
| synonyms | ['3,4-DICQA', '89886-30-6', 'UNII-E57A0DKE0B', 'Cyclohexanecarboxylic acid, 3,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,5-dihydroxy-, (1R,3R,4S,5R)-', '14534-61-3', '3,4-Dicaffeoylquinic acid', 'Isochlorogenic acid C', 'MFCD10566623', 'Isochlorogenic acid C(4,5)', 'E57A0DKE0B', '4,5-DCQA', 'CHEMBL177126', '3,4-Di-O-Caffeoylquinic acid', 'NSC-649410', '(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid', 'Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)-', '(1R,3R,4S,5R)-3,4-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexanecarboxylic acid', 'Isochlorogenic acid b', '(1R,3R,4S,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid', '(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid', 'isochlorogenic-acid-c', 'Isochlorogenic acid C?', '4,5-Dicaffeoylquinic acids', '3,4-di-O-caffeoylquinicacid', "Isochlorogenic acid C(4,5')", '3,4-DCQA', 'orb1301287', 'orb1304675', 'orb1941441', 'SCHEMBL15396049', 'ACon1_000313', 'HY-N0058R', 'methyl-3,5-di-O-caffeoylquinate', 'CHEBI:141136', 'HY-N0058', 'MSK15169', 'BDBM50056908', 's9034', '4,5-Dicaffeoylquinic acid (Standard)', 'AKOS025402182', 'AC-6052', 'CCG-269823', 'CS-3771', 'FD64832', 'NCGC00180681-01', 'NCGC00180681-02', 'NCGC00180681-03', '1ST15169', 'AS-74958', 'DA-70040', 'DA-74546', '4,5-Bis(3,4-dihydroxycinnamoyl)quinic acid', 'Q27276885', '4,5-Di-O-caffeoylquinic acid, >=85% (LC/MS-ELSD)', '(1R,3R,4S,5R)-3,4-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,5-dihydroxycyclohexanecarboxylicacid', '(1R,3R,4S,5R)-3,4-bis(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,5-dihydroxycyclohexanecarboxylic acid', '(1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,5-dihydroxy-cyclohexanecarboxylic acid', '(4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid', '3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid'] |
From Pubchem