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Isoquercitrin

CAT: 0013-GTR19159194-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159194-01Size:200 mg
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Description
Isoquercitrin is a potential stimulator of bone mineralization used for prophylaxis of osteoporotic disorders. Isoquercitrin may be as a potential therapeutic agent against neurodegeneration in Parkinson's disease. Isoquercitrin is an inhibitor of Wnt/β-catenin and may be as a potential novel anti-tumoral agent, such as against human pancreati、 liver cancer related to opioid receptors and to the activation of the mitogen-activated protein kinase (MAPK) signalling pathway. .
CAS Number
482-35-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 19.23 mg/mL (41.41 mM)
Smiles
C1=CC (=C (C=C1C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) OC4C (C (C (C (O4) CO) O) O) O) O) O
Molecular Formula
C21H20O12
Molecular Weight
464.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Isoquercetin

Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a histamine antagonist, a bone density conservation agent, an antipruritic drug, an osteogenesis regulator and a plant metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 3-O-beta-D-glucopyranoside(1-).

CAS Number482-35-9
PubChem CID5280804
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O12
Molecular Weight464.4
XLogP0.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity758
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
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
InChIKey
OVSQVDMCBVZWGM-QSOFNFLRSA-N
Chemical Structure
2D Structure
2D structure of Isoquercetin
CAS: 482-35-9
CID: 5280804
Formula: C21H20O12
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP30.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass464.09547607
Monoisotopic Mass464.09547607
Topological Polar Surface Area207 Ų
Heavy Atom Count33
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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