Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H11O5.Cl |
| Molecular Weight | 306.698 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].OC1=CC=C(C=C1)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2
InChI
InChIKey=YPVZJXMTXCOTJN-UHFFFAOYSA-N
InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.2369 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2424 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20801663 |
16.4 µM [IC50] |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Effects of anthocyanins on the AhR-CYP1A1 signaling pathway in human hepatocytes and human cancer cell lines. | 2013-07-31 |
|
| Pelargonidin activates the AhR and induces CYP1A1 in primary human hepatocytes and human cancer cell lines HepG2 and LS174T. | 2013-04-26 |
|
| Anti-inflammatory effects of flavonoids: genistein, kaempferol, quercetin, and daidzein inhibit STAT-1 and NF-kappaB activations, whereas flavone, isorhamnetin, naringenin, and pelargonidin inhibit only NF-kappaB activation along with their inhibitory effect on iNOS expression and NO production in activated macrophages. | 2007 |
|
| Strawberry anthocyanins are recovered in urine as glucuro- and sulfoconjugates in humans. | 2003-05 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:19:05 GMT 2025
by
admin
on
Wed Apr 02 12:19:05 GMT 2025
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| Record UNII |
DFL6200791
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| Record Status |
Validated (UNII)
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| Record Version |
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PELARGONIDIN
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m8450
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