QUERCETIN-3-O-BETA-GLUCOSIDE = ISOQUERCETIN

Structure

2D structure of QUERCETIN-3-O-BETA-GLUCOSIDE = ISOQUERCETIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 25203368

Names and identifiers

Name

QUERCETIN-3-O-BETA-GLUCOSIDE = ISOQUERCETIN

IUPAC name

4-(5,7-dihydroxy-4-oxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)-2-hydroxyphenolate

SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[O-]

General information

Molecular formula

C21H19O12-

Molecular weight

463.37 g/mol

Monoisotopic mass

463.0882 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Artemisia annua L. aerial parts -
Wright,C.W.(Ed)2002.Medicinal&Aromatic Plants-Industrial Profiles.Artemisia.344pp.Maffei,M.(Ed)2002.Vetiveria.The Genus Vetiveria.Taylor&Francis.NY,NY.191pp.Southwell,I.,Lowe,R.(Eds)1999.Tea Tree.The Genus Melaleuca.Harwood Acad.Pub.Amsterdam,Netherlands.
Bryonia dioica Jacq. flower -
Imperato, F. (1980). Five plants of the family Cucurbitaceae with flavonoid patterns of pollens different from those of corresponding stigmas. Experientia, 36, 1136-1137 doi:10.1007/bf01976084
Daucus carota L. seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Equisetum arvense L. - -
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
Linaria vulgaris Mill. subsp. vulgaris - -
Pethes, E., Marczal, G., Kery, A., Petho, M. (1974). Flavonoids as biologically active agents and their occurrence in the Scrophulariaceae family. Acta Pharm Hung Suppl, 44, 83-90
Pastinaca sativa L. subsp. sativa leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rosa canina L. leaf 20 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Urtica dioica L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.