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Home Carboxes 1241-87-8
1241-87-8,MFCD10566609
Catalog No.:AA000LIC

1241-87-8 | Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$128.00   $89.00
- +
5mg
≥98%
in stock  
$603.00   $422.00
- +
10mg
≥98%
in stock  
$1,079.00   $755.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000LIC
Chemical Name:
Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-
CAS Number:
1241-87-8
Molecular Formula:
C16H18O9
Molecular Weight:
354.3087
MDL Number:
MFCD10566609
SMILES:
O=C(OC1(CC(O)C(C(C1)O)O)C(=O)O)C=Cc1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
520  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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  

Literature

Title: Khan MK, et al. Dietary phytochemicals as potent chemotherapeutic agents against breast cancer: Inhibition of NF-κB pathway via molecular interactions in rel homology domain of its precursor protein p105. Pharmacogn Mag. 2013 Jan;9(33):51-7.

Title: Jiang Y, et al. Caffeoylquinic acid derivatives rich extract from Gnaphalium pensylvanicum willd. Ameliorates hyperuricemia and acute gouty arthritis in animal model. BMC Complement Altern Med. 2017 Jun 17;17(1):320.

Title: Han Y, et al. PD-1/PD-L1 inhibitor screening of caffeoylquinic acid compounds using surface plasmon resonance spectroscopy. Anal Biochem. 2018 Apr 15;547:52-56.

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Tags:1241-87-8 Molecular Formula|1241-87-8 MDL|1241-87-8 SMILES|1241-87-8 Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-