Cas no 14534-61-3 (3,4-Dicaffeoylquinic acid)
3,4-Dicaffeoylquinic acid is a naturally occurring polyphenolic compound classified as a chlorogenic acid derivative. It is characterized by the presence of two caffeoyl groups esterified to a quinic acid backbone, contributing to its notable antioxidant and anti-inflammatory properties. This compound is commonly found in plants such as coffee, artichoke, and yacon, where it plays a role in secondary metabolism. Its key advantages include strong free radical scavenging activity, potential neuroprotective effects, and modulation of oxidative stress pathways. Research suggests applications in nutraceuticals and pharmaceuticals due to its bioactivity. Analytical methods such as HPLC are typically employed for its identification and quantification.
3,4-Dicaffeoylquinic acid structure
Product Name:3,4-Dicaffeoylquinic acid
CAS No:14534-61-3
MF:C25H24O12
MW:516.450868606567
MDL:MFCD22375481
CID:49844
PubChem ID:5281780
Update Time:2025-10-13
3,4-Dicaffeoylquinic acid Chemical and Physical Properties
Names and Identifiers
-
- 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-Dicaffeoylquinic acid
- Isochlorgenic Acid
- Isochlorogenic acid B, froM Lonicera japonica
- Isochlorogenic acid B
- (1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid
- 3,4-Di-O-caffeoylquinic acid
- 4,5-di-O-caffeoylquinic acid
- 4,5-di-O-trans-caffeoyl-D-quinic acid
- 4,5-di-O-trans-caffeoylquininc acid
- Isochlorogenic acid B(3,4')
- ISOCHLOROGENIC ACID B(RG)
- Quinic acid 3,4-di-O-caffeate
- 1β,3β-Dihydroxy-4β,5α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α-cyclohexanecarboxylic acid
- (1S)-4β,5α-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β-dihydroxycyclohexanecarboxylic acid
- Isochlorogenic acid B,3,4-Dicaffeoylquinic acid
- Honeysuckle Flower Extract
- Isochlorogenic acid B, 98%, from Lonicera japonica Thunb.
- A12073
- (1R,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carbo
- NSC649410
- (1R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxyl
- Rel-3,4-Dicaffeoylquinic Acid
- 89886-31-7
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3S,4S,5S)-rel-
- NCGC00179718-01
- (1S,3R,4R,5R)-3,4-bis({[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-, (1S,3R,4R,5R)-
- ACon1_002212
- 4,5-Dicqa
- CCG-269822
- Q-100168
- CHEMBL249448
- Cyclohexanecarboxylic acid, 3,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-
- IsochlorogenicacidB
- 102851-07-0
- Isochlorogenic-acid-B
- Q27106970
- SCHEMBL12246115
- 4,5-Di-O-caffeoylquinic acid?
- 45777W94HK
- CHEBI:5995
- 14534-61-3
- GTPL12549
- AKOS026673963
- (1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
- HY-N0057
- Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-
- UNII-45777W94HK
- s9274
- 3,4-Di-O-caffeoylquinic acid, >=90% (LC/MS-ELSD)
- CS-3769
- AS-74985
- 3,4-dicaffeoylquinate
- NS00097363
- 1ST15168
- BDBM50362838
- (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid
- CHEMBL3325469
- SCHEMBL12288391
- 3,4-Dicaffeoylquinic Acid; 3,4-Di-O-Caffeoylquinic Acid
- BCP15489
- 3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
- FT-0777778
- FT-0686641
- 3,4-Dicaffeoylquinicacid
- Isochlorogenic acid B?
- 4,5-Dicaffeoylquinic acid
-
- MDL: MFCD22375481
- 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
- SMILES: O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)[C@@H]1C[C@](C(=O)O)(C[C@H]([C@H]1OC(/C=C/C1C=CC(=C(C=1)O)O)=O)O)O
Computed Properties
- Exact Mass: 516.12700
- Monoisotopic Mass: 516.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 37
- Rotatable Bond Count: 9
- Complexity: 887
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 211
- Molecular Weight: 516.4
Experimental Properties
- Color/Form: White powder
- Density: 1.6400
- Melting Point: No data available
- Boiling Point: 810.8℃/760mmHg
- Flash Point: 274.9 °C
- Refractive Index: 1.719
- Solubility: 生物體外In Vitro:DMSO溶解度50 mg/mL(96.81 mM;Need ultrasonic)
- PSA: 211.28000
- LogP: 1.02960
3,4-Dicaffeoylquinic acid Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: 24/25
- Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
3,4-Dicaffeoylquinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I111373-20mg |
3,4-Dicaffeoylquinic acid |
14534-61-3 | ,≥98% | 20mg |
¥1458.90 | 2023-09-02 | |
| S e l l e c k ZHONG GUO | S9274-1mg |
Isochlorogenic acid B |
14534-61-3 | 99.03% | 1mg |
¥1204.23 | 2023-09-15 | |
| HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI | BZP0026-20mg |
3,4-Dicaffeoylquinic acid |
14534-61-3 | HPLC≥98% | 20mg |
¥800元 | 2023-09-15 | |
| Chemenu | CM249512-10mg |
Isochlorogenic acid B |
14534-61-3 | 98% | 10mg |
$152 | 2021-06-15 | |
| ChemFaces | CFN99119-20mg |
Isochlorogenic acid B |
14534-61-3 | >=98% | 20mg |
$70 | 2021-07-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R029405-20mg |
3,4-Dicaffeoylquinic acid |
14534-61-3 | 98%() | 20mg |
¥1751 | 2024-05-25 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38745-1mg |
3,4-Dicaffeoylquinic Acid |
14534-61-3 | 98% | 1mg |
¥455.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38745-10mg |
3,4-Dicaffeoylquinic Acid |
14534-61-3 | 98% | 10mg |
¥970.0 | 2022-10-08 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38745-5mg |
3,4-Dicaffeoylquinic Acid |
14534-61-3 | 98% | 5mg |
¥613.0 | 2022-10-08 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B21540-20mg |
Isochlorogenic acid B |
14534-61-3 | ,HPLC≥98% | 20mg |
¥1000.00 | 2022-01-07 |
3,4-Dicaffeoylquinic acid Suppliers
Amadis Chemical Company Limited
Gold Member
(CAS:14534-61-3)3,4-Dicaffeoylquinic acid
Order Number:A1199271
Stock Status:in Stock
Quantity:100mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:39
Price ($):508.0
Email:[email protected]
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
(CAS:14534-61-3)IsochlorogenicacidB
Order Number:CRN0084
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 10:55
Price ($):
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
(CAS:14534-61-3)Isochlorogenic acid B
Order Number:LE10166
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:02
Price ($):discuss personally
Email:[email protected]
3,4-Dicaffeoylquinic acid Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Cyclic alcohols and derivatives
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Cyclic alcohols and derivatives
- CQAs
- Pharmaceutical and Biochemical Products Pharmaceutical Active Ingredients Standard Substances
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
14534-61-3 (3,4-Dicaffeoylquinic acid) Related Products
- 1241-87-8(1-Caffeoylquinic acid)
- 19870-46-3(1,3-Dicaffeoylquinic acid)
- 2450-53-5(Isochlorogenic acid A)
- 906-33-2(Neochlorogenic acid)
- 6001-76-9(chlorogenic acid hemihydrate)
- 327-97-9(Chlorogenic acid)
- 57378-72-0(4,5-Dicaffeoylquinic acid)
- 30964-13-7(Cynarin)
- 1182-34-9(1,4-Dicaffeoylquinic acid)
- 905-99-7(4-O-Caffeoylquinic Acid)