Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.3087 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O
InChI
InChIKey=GWTUHAXUUFROTF-JUHZACGLSA-N
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14-,16+/m1/s1
1-caffeoylquinic acid was extracted from Tetrastigma hemsleyanum leafs and identified in Ixeris sonchifolia. This dietary phytochemical is found in Quince, also. In silico study revealed that 1-caffeoylquinic acid effectively binds in the RH domain of NF-κB and might be a potent inhibitor of NF-κB pathway in cure and prevention of breast cancer.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Discriminating between the six isomers of dicaffeoylquinic acid by LC-MS(n). | 2005 May 18 |
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| Polyphenols are intensively metabolized in the human gastrointestinal tract after apple juice consumption. | 2007 Dec 26 |
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| [Identification of chemical component from Ixeris sonchifolia and its injection by HPLC-ESI-MS(n)]. | 2013 Aug |
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| 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. | 2013 Jan |
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| Qualitative and quantitative analysis of phenolics in Tetrastigma hemsleyanum and their antioxidant and antiproliferative activities. | 2013 Nov 6 |
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| Artichoke (Cynara cardunculus L. var. scolymus) waste as a natural source of carbonyl trapping and antiglycative agents. | 2017 Oct |
Patents
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| Code System | Code | Type | Description | ||
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136555
Created by
admin on Sat Dec 16 08:35:04 GMT 2023 , Edited by admin on Sat Dec 16 08:35:04 GMT 2023
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PRIMARY | |||
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8WO78APH4R
Created by
admin on Sat Dec 16 08:35:04 GMT 2023 , Edited by admin on Sat Dec 16 08:35:04 GMT 2023
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PRIMARY | |||
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1241-87-8
Created by
admin on Sat Dec 16 08:35:04 GMT 2023 , Edited by admin on Sat Dec 16 08:35:04 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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928005-87-2
Created by
admin on Sat Dec 16 08:35:04 GMT 2023 , Edited by admin on Sat Dec 16 08:35:04 GMT 2023
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PRIMARY |
SUBSTANCE RECORD
