Isoquercetin

Isoquercetin
Names
	IUPAC name 3-(β-D-Glucopyranosyloxy)-3′,4′,5,7-tetrahydroxyflavone
	Systematic IUPAC name 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-1-benzopyran-4-one
	Other names Isoquercitroside; Isoquercitrin; Isoquercetin; Trifoliin; Isotrifolin; Trifoliin A; Isohyperoside; Isotrifoliin; Quercetin-3-glucoside; Quercetin-3-O-glucoside; Quercetin 3-O-β-D-glucopyranoside
Identifiers
CAS Number	482-35-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:68352;
ChEMBL	ChEMBL250450;
ChemSpider	4444361;
DrugBank	DB12665;
ECHA InfoCard	100.123.856
EC Number	640-533-1;
KEGG	C05623 ;
PubChem CID	5280804;
UNII	6HN2PC637T ;
CompTox Dashboard (EPA)	DTXSID3041110 ;
	InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 Key: OVSQVDMCBVZWGM-QSOFNFLRSA-N; InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 Key: OVSQVDMCBVZWGM-QSOFNFLRBX;
	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;
Properties
Chemical formula	C21H20O12
Molar mass	464.379 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Isoquercetin, isoquercitrin or isotrifoliin is a flavonoid, a type of chemical compound. It is the 3-O-glucoside of quercetin. Isoquercitrin can be isolated from various plant species including Mangifera indica (mango) and Rheum nobile (the Noble rhubarb). It is also present in the leaves of Annona squamosa, Camellia sinensis (tea). and Vestia foetida

Names

IUPAC name 3-(β-D-Glucopyranosyloxy)-3′,4′,5,7-tetrahydroxyflavone
Systematic IUPAC name 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-1-benzopyran-4-one
Other names Isoquercitroside Isoquercitrin Isoquercetin Trifoliin Isotrifolin Trifoliin A Isohyperoside Isotrifoliin Quercetin-3-glucoside Quercetin-3-O-glucoside Quercetin 3-O-β-D-glucopyranoside
Identifiers
CAS Number	482-35-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:68352
ChEMBL	ChEMBL250450
ChemSpider	4444361
DrugBank	DB12665
ECHA InfoCard	100.123.856
EC Number	640-533-1
KEGG	C05623^Y
PubChem CID	5280804
UNII	6HN2PC637T^Y
CompTox Dashboard (EPA)	DTXSID3041110
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 Key: OVSQVDMCBVZWGM-QSOFNFLRSA-N InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 Key: OVSQVDMCBVZWGM-QSOFNFLRBX
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
Properties
Chemical formula	C₂₁H₂₀O₁₂
Molar mass	464.379 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references