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
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

3,4-Dicaffeoylquinic acid Pricemore >>

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Amadis Chemical Company Limited
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(CAS:14534-61-3)3,4-Dicaffeoylquinic acid
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Purity:99%
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Hubei Cuiyuan Biotechnology Co.,Ltd
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(CAS:14534-61-3)IsochlorogenicacidB
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:14534-61-3)Isochlorogenic acid B
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Quantity:25KG,200KG,1000KG
Purity:99%
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Price ($):discuss personally
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Amadis Chemical Company Limited
(CAS:14534-61-3)3,4-Dicaffeoylquinic acid
A1199271
Purity:99%
Quantity:100mg
Price ($):508.0
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Hubei Cuiyuan Biotechnology Co.,Ltd
(CAS:14534-61-3)IsochlorogenicacidB
CRN0084
Purity:≥98%
Quantity:5mg/20mg/50mg
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