DATISCETIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H10O6
Molecular Weight	286.2363
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C3=C(O)C=CC=C3

InChI

InChIKey=WCNLFPKXBGWWDS-UHFFFAOYSA-N

InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H

HIDE SMILES / InChI

Molecular Formula	C15H10O6
Molecular Weight	286.2363
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11180521 | https://www.ncbi.nlm.nih.gov/pubmed/2001725 | https://www.ncbi.nlm.nih.gov/pubmed/2158783 | https://www.ncbi.nlm.nih.gov/pubmed/23809009 | https://www.ncbi.nlm.nih.gov/pubmed/26719209

Datiscetin is a yellow plant dye from the flavonol group. It exhibited inhibitory activity against methicillin-resistant Staphylococcus aureus (MRSA). Datiscetin demonstrated antioxidant activity – it inhibits CCl4-induced microsomal lipid peroxidation and behaved as potent scavenger of the superoxide anion radicals. Datiscetin activated the human constitutive androstane receptor. It inhibited amyloid beta-42 protein aggregation. Datiscetin interacts with amyloid beta-42 protein directly, with monomers and small aggregates.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta amyloid A4 protein 9 Target ID: CHEMBL2487 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26719209	Binding Agent 1064
Nuclear receptor subfamily 1 group I member 3 4 Target ID: CHEMBL5503 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23809009	Activator 1430
Oxidative Stress 160 Target ID: WP408 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2001725 \| https://www.ncbi.nlm.nih.gov/pubmed/12617605 \| https://www.ncbi.nlm.nih.gov/pubmed/2158783	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Alzheimer’s disease 272 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26719209	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Inhibitory activity of flavonoids and tannins against HIV-1 protease.	2000 Sep	10993207
Activity of plant flavonoids against antibiotic-resistant bacteria.	2001 Feb	11180521
Kinetic and stoichiometric assessment of the antioxidant activity of flavonoids by electron spin resonance spectroscopy.	2003 Mar 12	12617605
Two novel disaccharides, rutinose and methylrutinose, are involved in carbon metabolism in Datisca glomerata.	2010 Feb	19915863

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

In concentrations of 100 ug per ml datiscetin inhibits the growth of Bacillus subtilis and Bacillus anthracis; at 200 ug per ml Micrococcus pyogenes var. aureus is also inhibited.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:00:00 GMT 2023` Edited by `admin` on `Sat Dec 16 04:00:00 GMT 2023`
Record UNII	M8C5EH705I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DATISCETIN

Common Name

English

C.I. 75630

Code

English

DATISCETIN [MI]

Common Name

English

3,5,7-TRIHYDROXY-2-(2-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

2',3,5,7-TETRAHYDROXYFLAVONE

Systematic Name

English

AKALBIR

Brand Name

English

C.I. NATURAL YELLOW 12

Code

English

Code System Code Type Description

FDA UNII

M8C5EH705I