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

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