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@@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C(O)=C2)[C@H]1O)C(O)=O
InChI
InChIKey=CWVRJTMFETXNAD-DJTMHQFBSA-N
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
DescriptionSources: http://phenol-explorer.eu/compounds/519 | https://www.ncbi.nlm.nih.gov/pubmed/20405920 | https://www.ncbi.nlm.nih.gov/pubmed/21899864 | https://www.ncbi.nlm.nih.gov/pubmed/27591562http://www.scielo.cl/pdf/chiljar/v71n3/at16.pdf | https://www.ncbi.nlm.nih.gov/pubmed/19530711 | https://www.ncbi.nlm.nih.gov/pubmed/11401245 | https://www.ncbi.nlm.nih.gov/pubmed/26152332
Sources: http://phenol-explorer.eu/compounds/519 | https://www.ncbi.nlm.nih.gov/pubmed/20405920 | https://www.ncbi.nlm.nih.gov/pubmed/21899864 | https://www.ncbi.nlm.nih.gov/pubmed/27591562http://www.scielo.cl/pdf/chiljar/v71n3/at16.pdf | https://www.ncbi.nlm.nih.gov/pubmed/19530711 | https://www.ncbi.nlm.nih.gov/pubmed/11401245 | https://www.ncbi.nlm.nih.gov/pubmed/26152332
Neochlorogenic acid is a natural polyphenolic compound which can be found in a variety of plant sources and especially some types of dried fruit. It is an epimer of chlorogenic acid. Neochlorogenic has been investigated as a chemopreventative dietary compound for breast cancer and collorectal cancer. It has in-vitro anti-inflammatory properties, and may be responsible for the laxative effect fo prunes. Research surrounding neochlorgenic acid has often involved various plant extracts, rather than pure preparations of the compound.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Profiling and characterization by LC-MSn of the chlorogenic acids and hydroxycinnamoylshikimate esters in maté (Ilex paraguariensis). | 2010 May 12 |
|
| Isolation, identification and quantitation of hydroxycinnamic acid conjugates, potential platform chemicals, in the leaves and stems of Miscanthus × giganteus using LC-ESI-MSn. | 2011 Dec |
|
| Simultaneous determination of neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid and geniposide in rat plasma by UPLC-MS/MS and its application to a pharmacokinetic study after administration of Reduning injection. | 2015 Jan |
|
| Anticarcinogenic Effect of Spices Due to Phenolic and Flavonoid Compounds-In Vitro Evaluation on Prostate Cells. | 2017 Sep 28 |
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DTXSID701029769
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6RO47OBY4X
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12310831
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32719-11-2
Created by
admin on Sat Dec 16 05:11:01 UTC 2023 , Edited by admin on Sat Dec 16 05:11:01 UTC 2023
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SUBSTANCE RECORD
