Isochlorogenic acid B - ≥93% , CAS No.14534-61-3

CAS: 14534-61-3 Cat. No.: I573429 Molecular Weight: 516.46 EC Number: 874-682-0

2 Citations COA

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Isochlorogenic acid B - ≥93% CAS No(14534-61-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥93%

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥93% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥93%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥93%

Names and Identifiers

Canonical Smiles	C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
IUPAC Name	(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
InChIKey	UFCLZKMFXSILNL-PSEXTPKNSA-N
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
Isomeric SMILES	C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
Alternate CAS	14534-61-3,32451-88-0,89886-31-7
MeSH Entry Terms	3,4-di-O-caffeoylquinic acid;3,4-dicaffeoylquinic acid;3,4-DICQA;isochlorogenic acid B;methyl 3,5-di-O-caffeoyl quinate;methyl-3,5-di-O-caffeoylquinate
Molecular Weight	516.46
Reaxy-Rn	11340191
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340191&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Cyclic alcohols and derivatives
        Level6 Cyclitols and derivatives
        Level7 Quinic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct Parent	Quinic acids and derivatives
Alternative Parents	Coumaric acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Cyclohexanols Alpha hydroxy acids and derivatives Tertiary alcohols Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Fatty acyl - Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Benzenoid - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.
External Descriptors	Caffeate derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1B1 Tclin Aldose reductase (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TYR Tclin Tyrosinase (717 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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MCF7 (126967 Activities)

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SH-SY5Y (11521 Activities)

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A549 (127892 Activities)

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Jurkat (10389 Activities)

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KETR3 (279 Activities)

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AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (300 Activities)

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Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Trypanosoma cruzi (99888 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Influenza A virus H3N2 (588 Activities)

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DHODH Dihydroorotate dehydrogenase (fumarate) (195 Activities)

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B16-F1 (104 Activities)

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Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
C2328899	Certificate of Analysis	Apr 13, 2023	I573429

Chemical and Physical Properties

Molecular Weight	516.400 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	516.127 Da
Monoisotopic Mass	516.127 Da
Topological Polar Surface Area	211.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	887.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

References

1. Yu-Mei Zhao, Lv-Huan Wang, Si-Fan Luo, Qi-Qin Wang, Ruin Moaddel, Ting-Ting Zhang, Zheng-Jin Jiang. (2018) Magnetic beads-based neuraminidase enzyme microreactor as a drug discovery tool for screening inhibitors from compound libraries and fishing ligands from natural products. JOURNAL OF CHROMATOGRAPHY A, [PMID:30005943] [10.1016/j.chroma.2018.07.031]
2. Ziyu Zhang, Xiaoying Yang, Chang Liu, Xianfa Zeng, Zhigang Yin, Yulong Liu, Jiangli Luo, Ying Zhou. (2025) Serum pharmacochemistry profiling combined with molecular docking analysis to reveal the pharmacodynamic material basis of Lonicerae japonicae flos against acute lung injury. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2025.106858]

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Isochlorogenic acid B - ≥93% , CAS No.14534-61-3

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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