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CHEBI:146138 - 3,3'-dimethylquercetin

Default Structure
ChEBI IDCHEBI:146138
ChEBI Name3,3'-dimethylquercetin
Stars
DefinitionA dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3' have been replaced by methoxy groups.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.
Last Modified10 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1O
InChIInChI=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
InChIKeyFMEHGPQTMOPUGM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Artemisia heptapotamica (ncbitaxon:1903203) - DOI (/10.1007/BF00598777)
Elaeagnus pungens (ncbitaxon:693372) leaf (BTO:0000713) PubMed (16722375)
Halimodendron halodendron (ncbitaxon:47657) aerial part (BTO:0001658) PubMed (23109858)
Inula viscosa (ncbitaxon:56525) - PubMed (22418930)
Rumex aquaticus (ncbitaxon:1470351) - PubMed (28300698)
Viscum coloratum (ncbitaxon:159976) - PubMed (22041066)
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3,3'-di-O-methylquercetinChemIDplus
3,3'-dimethoxyquercetinChemIDplus
3,3'-O-dimethyl quercetinChEBI
3-O-methylisorhamnetinChEBI
4',5,7-trihydroxy-3,3'-dimethoxyflavoneChEBI
5,7,4'-trihydroxy-3,3'-dimethoxyflavoneLIPID MAPS
Manual XrefsDatabases
CPD-14946MetaCyc
LMPK12112752LIPID MAPS
Registry NumbersSources
CAS:4382-17-6ChemIDplus
Citations