3,3'-dimethylquercetin (CHEBI:146138)

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ChEBI Name	3,3'-dimethylquercetin

ChEBI ID	CHEBI:146138

Definition	A dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3' have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C17H14O7

Net Charge

Average Mass

330.292

Monoisotopic Mass

330.07395

InChI

InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3

InChIKey

FMEHGPQTMOPUGM-UHFFFAOYSA-N

SMILES

C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)O

Metabolite of Species	Details
Rumex aquaticus (NCBI:txid1470351)	See: PubMed
Viscum coloratum (NCBI:txid159976)	See: PubMed
Artemisia heptapotamica (NCBI:txid1903203)	See: DOI
Halimodendron halodendron (NCBI:txid47657)	Found in aerial part (BTO:0001658). See: PubMed
Inula viscosa (NCBI:txid56525)	See: PubMed
Elaeagnus pungens (NCBI:txid693372)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	3,3'-dimethylquercetin (CHEBI:146138) has functional parent quercetin (CHEBI:16243) 3,3'-dimethylquercetin (CHEBI:146138) has role antibacterial agent (CHEBI:33282) 3,3'-dimethylquercetin (CHEBI:146138) has role antineoplastic agent (CHEBI:35610) 3,3'-dimethylquercetin (CHEBI:146138) has role apoptosis inducer (CHEBI:68495) 3,3'-dimethylquercetin (CHEBI:146138) has role plant metabolite (CHEBI:76924) 3,3'-dimethylquercetin (CHEBI:146138) is a 3'-methoxyflavones (CHEBI:138730) 3,3'-dimethylquercetin (CHEBI:146138) is a dimethoxyflavone (CHEBI:23798) 3,3'-dimethylquercetin (CHEBI:146138) is a trihydroxyflavone (CHEBI:27116)

IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-chromen-4-one

Synonyms	Sources
3,3'-di-O-methylquercetin	ChemIDplus
3,3'-dimethoxyquercetin	ChemIDplus
3,3'-O-dimethyl quercetin	ChEBI
3-O-methylisorhamnetin	ChEBI
4',5,7-trihydroxy-3,3'-dimethoxyflavone	ChEBI
5,7,4'-trihydroxy-3,3'-dimethoxyflavone	LIPID MAPS
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	IUPAC
quercetin 3,3'-dimethyl ether	MetaCyc

Registry Number	Type	Source
4382-17-6	CAS Registry Number	ChemIDplus

Last Modified

10 February 2020