U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of PELARGONIDIN CHLORIDE

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

HIDE SMILES / InChI

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

Targets

Primary TargetPharmacologyConditionPotency
16.4 µM [IC50]
PubMed

PubMed

TitleDatePubMed
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
Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 12:19:05 GMT 2025
Edited
by admin
on Wed Apr 02 12:19:05 GMT 2025
Record UNII
DFL6200791
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELARGONIDIN CHLORIDE
Common Name English
PELARGONIDIN
MI  
Preferred Name English
PELARGONIDIN [MI]
Common Name English
3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOPYRYLIUM CHLORIDE
Systematic Name English
3,4',5,7-TETRAHYDROXY-2-PHENYLBENZOPYRYLIUM CHLORIDE
Common Name English
3,4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE
Systematic Name English
Code System Code Type Description
CHEBI
28510
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
205-127-7
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
CAS
134-04-3
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
CHEBI
25863
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
PUBCHEM
67249
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
WIKIPEDIA
PELARGONIDIN
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
CHEBI
144777
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
FDA UNII
DFL6200791
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID001020859
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY
MERCK INDEX
m8450
Created by admin on Wed Apr 02 12:19:05 GMT 2025 , Edited by admin on Wed Apr 02 12:19:05 GMT 2025
PRIMARY Merck Index