- Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their QuinidesMatei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115
Cas no 87099-73-8 (4-caffeoylquinic acid)
4-caffeoylquinic acid structure
Product Name:4-caffeoylquinic acid
CAS No:87099-73-8
MF:C16H18O9
MW:354.308725833893
CID:2076063
PubChem ID:9798666
Update Time:2025-04-21
4-caffeoylquinic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-caffeoylquinic acid
- Kryptochlorogensaeure
- 4-o-Caffeoyl quinic acid
- 4-O-Caffeoylquinic acid, >=98.0%
- CS-3767
- (1alpha,3alpha,4alpha,5beta)-4-(3-(3,4-(Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid
- 49B68A4C-6EC9-4441-B7D7-E3B740A8CDEC
- Quinic acid 4-O-caffeate
- Quinic acid, 4-caffeoyl-, E-
- NCGC00180861-01
- PD118874
- (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid
- Cyclohexanecarboxylic acid, 4-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- 4-O-trans-caffeoylquinic acid
- 87099-73-8
- CYCLOHEXANECARBOXYLIC ACID, 4-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,3,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
- ACon1_000120
- CHEBI:75491
- rel-(1S,3R,4S,5R)-4-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid
- 1ST40095
- CHEMBL4203706
- CYCLOHEXANECARBOXYLIC ACID, 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,3,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
- 4-Caffeoylquinic acid/ Cryptochlorogenic acid
- (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
- (1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
- BDBM50455380
- FC40707
- DA-72410
- Cryptochlorogenic acid, analytical standard
- Cryptochlorogenic acid (Standard)
- 4-Caffeoylquinic acid;4-O-Caffeoylquinic acid
- F23DJ84IZ9
- Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- 4-O-(E)-caffeoylquinic acid
- HY-N0787
- 4-Cqa
- CHEMBL3092676
- 82638-23-1
- SCHEMBL20883249
- Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
- Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-1R-propenyl)oxy)-1,3,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-
- 4-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
- 4-(3,4-Dihydroxycinnamoyl)quinic acid
- HY-N0787R
- Cryptochlorogenic acid
- SCHEMBL18180782
- AKOS026674252
- (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxy-cyclohexanecarboxylic acid
- MFCD10566638
- BS-17821
- Cryptochlorogenic-acid
- 4-O-Caffeoylquinic acid
- Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- Q27145347
- 905-99-7
- UNII-F23DJ84IZ9
- Quinic acid, 4-caffeoyl-
- B0B55D52-5101-4E6D-AA67-72D1CECBAA5A
- CCG-268076
- s9319
- AKOS037514601
-
- Inchi： 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1
- InChI Key： GYFFKZTYYAFCTR-AVXJPILUSA-N
- SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)C1[C@@H](CC(C(=O)O)(C[C@H]1O)O)O
Computed Properties
- Exact Mass: 354.09508215Da
- Monoisotopic Mass: 354.09508215Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 520
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 165?2
4-caffeoylquinic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Water Solvents: Water ; 10 min, 100 °C
Reference
4-caffeoylquinic acid Raw materials
4-caffeoylquinic acid Preparation Products
4-caffeoylquinic acid Related Literature
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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