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=[O+]C3=CC(O)=CC(O)=C3C=C2O

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
Strawberry anthocyanins are recovered in urine as glucuro- and sulfoconjugates in humans.
2003 May
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
Pelargonidin activates the AhR and induces CYP1A1 in primary human hepatocytes and human cancer cell lines HepG2 and LS174T.
2013 Apr 26
Effects of anthocyanins on the AhR-CYP1A1 signaling pathway in human hepatocytes and human cancer cell lines.
2013 Jul 31
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:48:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:33 GMT 2023
Record UNII
DFL6200791
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELARGONIDIN CHLORIDE
Common 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
PELARGONIDIN
MI  
Common Name English
3,4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE
Systematic Name English
Code System Code Type Description
CHEBI
28510
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-127-7
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
CAS
134-04-3
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
CHEBI
25863
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
PUBCHEM
67249
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
WIKIPEDIA
PELARGONIDIN
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
CHEBI
144777
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
FDA UNII
DFL6200791
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID001020859
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY
MERCK INDEX
m8450
Created by admin on Sat Dec 16 18:48:33 GMT 2023 , Edited by admin on Sat Dec 16 18:48:33 GMT 2023
PRIMARY Merck Index