PRUNETIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12O5
Molecular Weight	284.2635
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C(=O)C(=CO2)C3=CC=C(O)C=C3)C(O)=C1

InChI

InChIKey=KQMVAGISDHMXJJ-UHFFFAOYSA-N

InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

HIDE SMILES / InChI

Molecular Formula	C16H12O5
Molecular Weight	284.2635
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Effect of enzyme inhibitors on protein quaternary structure determined by on-line size exclusion chromatography-microelectrospray ionization mass spectrometry.	2001 Jan	11142365
In vitro antioxidant activity of some selected Prunus species in Korea.	2002 Dec	12510840
Identification of phytoestrogens in bovine milk using liquid chromatography/electrospray tandem mass spectrometry.	2003	12811748
Determination of isoflavones in red clover and related species by high-performance liquid chromatography combined with ultraviolet and mass spectrometric detection.	2003 Oct 24	14601839
Assessment of the reactivity of selected isoflavones against proteins in comparison to quercetin.	2004 Aug 11	15291506
Inhibitory effects of flavonoids on phosphodiesterase isozymes from guinea pig and their structure-activity relationships.	2004 Nov 15	15476679
Isoflavonoids are present in Arabidopsis thaliana despite the absence of any homologue to known isoflavonoid synthases.	2006 Feb-Mar	16650770
Disposition of flavonoids via enteric recycling: structural effects and lack of correlations between in vitro and in situ metabolic properties.	2006 Nov	16882763
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Amorphane sesquiterpenes from a marine Streptomyces sp.	2007 Feb	17315965
Pycnanthuquinone C: a new terpenoid-quinone from Pycnanthus angolensis.	2007 Feb	17295184
Cytotoxic constituents from Butea superba Roxb.	2007 Jan 19	16973318
Flavonoid-responsive nodY-lacZ expression in three phylogenetically different Bradyrhizobium groups.	2008 May	18449225
Structure and concentration changes affect characterization of UGT isoform-specific metabolism of isoflavones.	2009 Sep-Oct	19545173
The influence of bovine milk high or low in isoflavones on hepatic gene expression in mice.	2010	20652050
Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometric and semi-empirical calculations study of five isoflavone aglycones.	2010 Dec 15	21072799
Secondary metabolites and antimycobacterial activities from the roots of Ficus nervosa.	2010 Jul	20658670
Flavonoids activate pregnane x receptor-mediated CYP3A4 gene expression by inhibiting cyclin-dependent kinases in HepG2 liver carcinoma cells.	2010 Jun 16	20553580
Isoflavones isolated from red clover (Trifolium pratense) inhibit smooth muscle contraction of the isolated rat prostate gland.	2010 Sep	20638256
Anti-inflammatory effect of prunetin via the suppression of NF-κB pathway.	2013 Aug	23597450

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:05:21 GMT 2023` Edited by `admin` on `Fri Dec 15 19:05:21 GMT 2023`
Record UNII	1TG4H5H11J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRUNETIN

Common Name

English

4',5-DIHYDROXY-7-METHOXYISOFLAVONE

Common Name

English

5-HYDROXY-3-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

PRUNETIN [MI]

Common Name

English

PRUNUSETIN

Common Name

English

Code System Code Type Description

CHEBI

8600