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Isochlorogenic acid C - 98%, high purity , CAS No.57378-72-0

2 Citations COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
I414320
Grouped product items
SKU Size
Availability
 Price Qty
I414320-5mg
5mg
3
$115.90
I414320-25mg
25mg
3
$522.90
I414320-50mg
50mg
2
$939.90
I414320-100mg
100mg
2
$1,691.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) Apoptosis (4276) Glucose Metabolism (1943) Glucosidase (71) HBV (114) Metabolic Enzyme/Protease (4860) Metabolite (5307) Virus (1811)

Basic Description

Synonyms AMY30613 | Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)- | Isochlorogenic acid C | (4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Isochlorogenic acid C (3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid), which is a di-O-caffeoyl derivative of chlorogenic acid, is a well-known antioxidant from herbal plants and shows anti-viral effects against EV71.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

Isochlorogenic acid C (3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid), which is a di-O-caffeoyl derivative of chlorogenic acid, is a well-known antioxidant from herbal plants and shows anti-viral effects against EV71.

Taxonomic Classification

Taxonomy Tree

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 Not available

Product Properties

ALogP 1.687
hba_count 5
HBD Count 5
Rotatable Bond 9

Associated Targets(Human)

APP Tclin Amyloid-beta A4 protein (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U-251 (51189 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Monocyte (474 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pol Human immunodeficiency virus type 1 integrase (9041 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pol Human immunodeficiency virus type 2 integrase (9 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hepatitis B virus (7925 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
C6 (2371 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504764246
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504764246
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
InChIKey UFCLZKMFXSILNL-RVXRWRFUSA-N
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
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
Molecular Weight 516.45
Reaxy-Rn 11340191
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340191&ln=

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.

4 results found

Lot Number Certificate Type Date Item
J2214763 Certificate of Analysis Jun 19, 2022 I414320
J2214636 Certificate of Analysis Jun 19, 2022 I414320
J2214764 Certificate of Analysis Jun 19, 2022 I414320
J2214639 Certificate of Analysis Jun 19, 2022 I414320

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 100 mg/mL (193.62 mM);    
DMSO(mg / mL) Max Solubility 10
DMSO(mM) Max Solubility 19.3629264166585
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 Ų
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

Solution Calculators

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