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
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.3087 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
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 |
|---|---|---|
| Anticarcinogenic Effect of Spices Due to Phenolic and Flavonoid Compounds-In Vitro Evaluation on Prostate Cells. | 2017-09-28 |
|
| Plum polyphenols inhibit colorectal aberrant crypt foci formation in rats: potential role of the miR-143/protein kinase B/mammalian target of rapamycin axis. | 2016-10 |
|
| Neochlorogenic Acid Inhibits Lipopolysaccharide-Induced Activation and Pro-inflammatory Responses in BV2 Microglial Cells. | 2015-09 |
|
| 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. | 2015-01 |
|
| Variation in the contents of neochlorogenic acid, chlorogenic acid and three quercetin glycosides in leaves and fruits of Rowan (Sorbus) species and varieties from collections in Lithuania. | 2013-08 |
|
| Isolation, identification and quantitation of hydroxycinnamic acid conjugates, potential platform chemicals, in the leaves and stems of Miscanthus × giganteus using LC-ESI-MSn. | 2011-12 |
|
| High chlorogenic and neochlorogenic acid levels in immature peaches reduce Monilinia laxa infection by interfering with fungal melanin biosynthesis. | 2011-04-13 |
|
| Profiling and characterization by LC-MSn of the chlorogenic acids and hydroxycinnamoylshikimate esters in maté (Ilex paraguariensis). | 2010-05-12 |
| Substance Class |
Chemical
Created
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admin
on
Edited
Mon Mar 31 21:26:55 GMT 2025
by
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on
Mon Mar 31 21:26:55 GMT 2025
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| Record UNII |
6RO47OBY4X
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| Record Status |
Validated (UNII)
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