DELPHINIDIN CATION

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H11O7
Molecular Weight	303.2436
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C3=CC(O)=C(O)C(O)=C3

InChI

InChIKey=JKHRCGUTYDNCLE-UHFFFAOYSA-O

InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

HIDE SMILES / InChI

Molecular Formula	C15H10O7
Molecular Weight	302.2357
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	Potency
regulation of membrane permeability 2 Target ID: GO:0090559 Sources: https://adisinsight.springer.com/drugs/800003473	Inhibitor 8297
Vascular endothelial growth factor receptor 2 104 Target ID: CHEMBL279 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27484508	Inhibitor 8297	5.09 nM [IC50]
Epidermal growth factor receptor erbB1 58 Target ID: CHEMBL203 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27484508	Inhibitor 8297	6.27 nM [IC50]

PubMed

Title	Date	PubMed
Orally administered delphinidin 3-rutinoside and cyanidin 3-rutinoside are directly absorbed in rats and humans and appear in the blood as the intact forms.	2001 Mar	11312894
The metabolism of dietary polyphenols and the relevance to circulating levels of conjugated metabolites.	2002 Nov	12592675
Induction of apoptosis by the Anthocyanidins through regulation of Bcl-2 gene and activation of c-Jun N-terminal kinase cascade in hepatoma cells.	2005 Mar 9	15740068
Fyn kinase is a direct molecular target of delphinidin for the inhibition of cyclooxygenase-2 expression induced by tumor necrosis factor-alpha.	2009 Apr 1	19174152
Antifibrotic activity of anthocyanidin delphinidin in carbon tetrachloride-induced hepatotoxicity in mice.	2010 Jun 4	20371262
Pelargonidin activates the AhR and induces CYP1A1 in primary human hepatocytes and human cancer cell lines HepG2 and LS174T.	2013 Apr 26	23419638

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:42 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:42 GMT 2023`
Record UNII	031A4BN94T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DELPHINIDIN CATION

Common Name

English

1-BENZOPYRYLIUM, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-

Systematic Name

English

FLAVYLIUM, 3,3',4',5,5',7-HEXAHYDROXY-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80862123

Created by admin on Sat Dec 16 09:42:42 GMT 2023 , Edited by admin on Sat Dec 16 09:42:42 GMT 2023

PRIMARY

PUBCHEM

128853

Created by admin on Sat Dec 16 09:42:42 GMT 2023 , Edited by admin on Sat Dec 16 09:42:42 GMT 2023

PRIMARY

CAS

13270-61-6

Created by admin on Sat Dec 16 09:42:42 GMT 2023 , Edited by admin on Sat Dec 16 09:42:42 GMT 2023

PRIMARY

FDA UNII

031A4BN94T

Created by admin on Sat Dec 16 09:42:42 GMT 2023 , Edited by admin on Sat Dec 16 09:42:42 GMT 2023

PRIMARY

Related Record Type Details


					EM6MD4AEHE

DELPHINIDIN CHLORIDE

SALT/SOLVATE -> PARENT