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(O)=C(O)C=C2)[C@H]1O)C(O)=O
InChI
InChIKey=CWVRJTMFETXNAD-NXLLHMKUSA-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
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 22:08:29 GMT 2023
by
admin
on
Fri Dec 15 22:08:29 GMT 2023
|
Record UNII |
O4601UER1Z
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
342811-68-1
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
NON-SPECIFIC STEREOCHEMISTRY | |||
|
NEOCHLOROGENIC ACID
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
C473200
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
5280633
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
906-33-2
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
O4601UER1Z
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
212-997-1
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY | |||
|
16384
Created by
admin on Fri Dec 15 22:08:30 GMT 2023 , Edited by admin on Fri Dec 15 22:08:30 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
The water-soluble fraction was repeatedly chromatographed over MCI gel CHP20P, Sephadex LH-20, and YMC ODSA to yield the compound.
|
||
|
CONSTITUENT ALWAYS PRESENT -> PARENT |
Methanol extracts of stevia dry leaves were directly used for LC-MS analysis. Efficient separation and resolution were achieved with diphenyl packing and acetonitrile/water as solvent in the HPLC method. Negative ion mode was used for all MS measurements.
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT |