HEXAMETHYLQUERCETAGETIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22O8
Molecular Weight	402.3946
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C(OC)=C(OC)C=C3O2

InChI

InChIKey=CHXSDKWBSFDZEU-UHFFFAOYSA-N

InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3

HIDE SMILES / InChI

Molecular Formula	C21H22O8
Molecular Weight	402.3946
Charge	0
Count

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

Description
Sources: http://www.hmdb.ca/metabolites/HMDB29308 | https://www.ncbi.nlm.nih.gov/pubmed/19193025

Hexamethylquercetagetin is found in citrus. Hexamethylquercetagetin is isolated from the peel of Citrus species. Hexamethylquercetagetin inhibited M. tuberculosis H37Rv with MIC value of 179.1 uM.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Mycobacterium tuberculosis H37Rv 11 Target ID: CHEMBL2111188 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19193025	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Tuberculosis 83 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19193025	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Validated reversed phase LC method for quantitative analysis of polymethoxyflavones in citrus peel extracts.	2008-01	18095294
Fungicidal potential of methoxylated flavones from citrus for in vitro control of Colletotrichum gloeosporioides, causal agent of anthracnose disease in tropical fruits.	2003-11	14620052

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Hexamethylquercetagetin inhibited M. tuberculosis H37Rv with MIC value of 179.1 uM.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:33:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:33:45 GMT 2025`
Record UNII	5MF6VX27BO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-678108

Preferred Name

English

HEXAMETHYLQUERCETAGETIN

Common Name

English

HEXA-O-METHYLQUERCETAGETIN

Common Name

English

QUERCETAGETIN HEXAMETHYL ETHER

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIMETHOXYPHENYL)-3,5,6,7-TETRAMETHOXY-

Systematic Name

English

OXYAYANIN B TRIMETHYL ETHER

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701301791