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906-33-2,MFCD10566639
Catalog No.:AA00IG5C

906-33-2 | Neochlorogenic acid

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1mg
98%
in stock  
$24.00   $17.00
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5mg
≥98%
in stock  
$116.00   $81.00
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10mg
≥98%
in stock  
$205.00   $143.00
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25mg
≥98%
in stock  
$453.00   $317.00
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50mg
≥98%
in stock  
$790.00   $553.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IG5C
Chemical Name:
Neochlorogenic acid
CAS Number:
906-33-2
Molecular Formula:
C16H18O9
Molecular Weight:
354.3087
MDL Number:
MFCD10566639
SMILES:
O=C(O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
534  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
-0.4  

Downstream Synthesis Route

[1]Fuchs,Claus;Spiteller,Gerhard[JournalofMassSpectrometry,1996,vol.31,#6,p.602-608]

[1]JournalofMassSpectrometry,1996,vol.31,p.602-608

[2]JournalofAgriculturalandFoodChemistry,2003,vol.51,p.496-501

[1]Sefkow,Michael;Kelling,Alexandra;Schilde,Uwe[EuropeanJournalofOrganicChemistry,2001,#14,p.2735-2742]

CASUnavailable 
  906-33-2 

[1]Kondo,Tadao;Toyama-Kato,Yuki;Yoshida,Kumi[TetrahedronLetters,2005,vol.46,#39,p.6645-6649]

[2]Toyama-Kato,Yuki;Kondo,Tadao;Yoshida,Kumi[Heterocycles,2007,vol.72,p.239-254]

Literature

Title: Anti-Aspergillus activity of green coffee 5-O-caffeoyl quinic acid and its alkyl esters.

Journal: Microbial pathogenesis 20130101

Title: Effect of coffee combining green coffee bean constituents with typical roasting products on the Nrf2/ARE pathway in vitro and in vivo.

Journal: Journal of agricultural and food chemistry 20120926

Title: Identification of the ortho-benzoquinone intermediate of 5-O-caffeoylquinic acid in vitro and in vivo: comparison of bioactivation under normal and pathological situations.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120801

Title: Content of antioxidative caffeoylquinic acid derivatives in field-grown Ligularia fischeri (Ledeb.) Turcz and responses to sunlight.

Journal: Journal of agricultural and food chemistry 20120606

Title: Identification of nutritional descriptors of roasting intensity in beverages of Arabica and Robusta coffee beans.

Journal: International journal of food sciences and nutrition 20111201

Title: New insights into an ancient antibrowning agent: formation of sulfophenolics in sodium hydrogen sulfite-treated potato extracts.

Journal: Journal of agricultural and food chemistry 20110928

Title: Coffee constituents as modulators of Nrf2 nuclear translocation and ARE (EpRE)-dependent gene expression.

Journal: The Journal of nutritional biochemistry 20110501

Title: Inhibitory effects of chlorogenic acid on aldose reductase activity in vitro and cataractogenesis in galactose-fed rats.

Journal: Archives of pharmacal research 20110501

Title: [Simultaneous determination of 6 phenolic acids in coffee beans by reversed-phase high performance liquid chromatography].

Journal: Se pu = Chinese journal of chromatography 20110501

Title: Synthesis, anti-HIV and anti-oxidant activities of caffeoyl 5,6-anhydroquinic acid derivatives.

Journal: Bioorganic & medicinal chemistry 20100115

Title: Chemical kinetics of 5-o-caffeoylquinic acid in superheated steam: effect of isomerization on mate (Ilex paraguariensis) manufacturing.

Journal: Journal of agricultural and food chemistry 20091223

Title: Caffeic and chlorogenic acids in Ilex paraguariensis extracts are the main inhibitors of AGE generation by methylglyoxal in model proteins.

Journal: Fitoterapia 20090901

Title: Caffeic acid, a phenolic phytochemical in coffee, directly inhibits Fyn kinase activity and UVB-induced COX-2 expression.

Journal: Carcinogenesis 20090201

Title: NMR metabolomics to revisit the tobacco mosaic virus infection in Nicotiana tabacum leaves.

Journal: Journal of natural products 20060501

Title: Phenolic acids in Fructus Xanthii and determination of contents of total phenolic acids in different species and populations of Xanthium in China.

Journal: Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine 20060301

Title: Identification of isomeric dicaffeoylquinic acids from Eleutherococcus senticosus using HPLC-ESI/TOF/MS and 1H-NMR methods.

Journal: Phytochemical analysis : PCA 20020101

Title: Kim M, et al. Neochlorogenic Acid Inhibits Lipopolysaccharide-Induced Activation and Pro-inflammatory Responses in BV2 Microglial Cells. Neurochem Res. 2015 Sep;40(9):1792-8.

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SDS
Tags:906-33-2 Molecular Formula|906-33-2 MDL|906-33-2 SMILES|906-33-2 Neochlorogenic acid