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19870-46-3,MFCD13196505
Catalog No.:AA00AP1D

19870-46-3 | 1,3-O-Dicaffeoylquinic acid

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1mg
≥98%
in stock  
$53.00   $37.00
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5mg
≥98%
in stock  
$230.00   $161.00
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10mg
≥98%
in stock  
$356.00   $249.00
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25mg
≥98%
in stock  
$819.00   $573.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00AP1D
Chemical Name:
1,3-O-Dicaffeoylquinic acid
CAS Number:
19870-46-3
Molecular Formula:
C25H24O12
Molecular Weight:
516.4509
MDL Number:
MFCD13196505
SMILES:
O=C(O[C@@H]1C[C@@](OC(=O)/C=C/c2ccc(c(c2)O)O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
887  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
9  
XLogP3:
1.5  

Literature

Title: [Simultaneous determination of 4 phenolic acids in cangerzi by ultra-performance liquid chromatography].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20101201

Title: Mass spectrometry of 1,3- and 1,5-dicaffeoylquinic acids.

Journal: Journal of mass spectrometry : JMS 20040401

Title: Structure-activity relationships: analogues of the dicaffeoylquinic and dicaffeoyltartaric acids as potent inhibitors of human immunodeficiency virus type 1 integrase and replication.

Journal: Journal of medicinal chemistry 19990211

Title: Dicaffeoylquinic and dicaffeoyltartaric acids are selective inhibitors of human immunodeficiency virus type 1 integrase.

Journal: Antimicrobial agents and chemotherapy 19980101

Title: Dicaffeoylquinic acid inhibitors of human immunodeficiency virus integrase: inhibition of the core catalytic domain of human immunodeficiency virus integrase.

Journal: Molecular pharmacology 19961001

Title: Wang Z, et al. An LC-MS/MS method for simultaneous determination of 1,5-dicaffeoylquinic acid and 1-O-acetylbritannilactone in rat plasma and its application to a pharmacokinetic study.

Title: Xiao HB, et al. 1,5-dicaffeoylquinic acid protects primary neurons from amyloid β 1-42-induced apoptosis via PI3K/Akt signaling pathway. Chin Med J (Engl). 2011 Sep;124(17):2628-35.

Title: Cao X, et al. 1, 5-Dicaffeoylquinic acid-mediated glutathione synthesis through activation of Nrf2 protects against OGD/reperfusion-induced oxidative stress in astrocytes. Brain Res. 2010 Aug 6;1347:142-8.

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Tags:19870-46-3 Molecular Formula|19870-46-3 MDL|19870-46-3 SMILES|19870-46-3 1,3-O-Dicaffeoylquinic acid