Introduction：Basic information about Neochlorogenic acid CAS 906-33-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Neochlorogenic acid Basic information
| Product Name: | Neochlorogenic acid |
| Synonyms: | [1R-(1alpha,3alpha,4alpha,5beta)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid;Neochlorogenic acid;5-O-CAFFEOYLQUINICACID;(1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid;5-Caffeoylquinic acid;trans-5-O-Caffeoyl-D-quinate;Neochlorogenic acid，5-Caffeoylquinic acid，trans-5-O-Caffeoyl-D-quinate;(1R)-3β-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,4β,5α-trihydroxycyclohexane-1α-carboxylic acid |
| CAS: | 906-33-2 |
| MF: | C16H18O9 |
| MW: | 354.31 |
| EINECS: | 212-997-1 |
| Product Categories: | chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract |
| Mol File: | 906-33-2.mol |
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Neochlorogenic acid Chemical Properties
| Melting point | 204-206 °C (decomp) |
| Boiling point | 665.0±55.0 °C(Predicted) |
| density | 1.65±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated) |
| pka | 3.90±0.50(Predicted) |
| form | Solid |
| color | White to Off-White |
| biological source | Lonicera japonica |
| Stability: | Hygroscopic |
| Major Application | food and beverages |
| InChI | 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 |
| InChIKey | CWVRJTMFETXNAD-NXLLHMKUSA-N |
| SMILES | [C@@]1(O)(C(O)=O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1 |
| LogP | 0.370 (est) |
| CAS DataBase Reference | 906-33-2 |
Safety Information
| WGK Germany | 3 |
| HS Code | 29182900 |
| Storage Class | 11 - Combustible Solids |
Neochlorogenic acid Usage And Synthesis
| Chemical Properties | Soluble in hot water, ethanol and acetone, completely soluble. Very slightly soluble in ethyl acetate. Derived from honeysuckle |
| Uses | (E)-Neochlorogenic Acid is an antioxidant compound used in the treatment of oxidative stress and related afflictions. |
| Definition | ChEBI: A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. |
| General Description | This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG |
| Biochem/physiol Actions | Neochlorogenic acid has been found to have an inhibitory effect on the biosynthesis of melanin. Therefore it can be used on harvested fruits to prevent brown rot infection caused by?Monilinia laxa. It also shows impressive antioxidant, antibacterial, antiviral and antipyretic characteristics. Neochlorogenic acid has the potential to be used in the management of acute and chronic inflammatory diseases due to its anti-inflammatory activity. It may function as chemopreventive compounds due to growth inhibition seen in breast cancer cell line MDA-MB-435. |
| IC 50 | p65; IL-1β; COX-2 |
Neochlorogenic acid Preparation Products And Raw materials
