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Reynoutrin

CAT: 0931-T7781-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7781-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
549-32-6
Target
Reactive Oxygen Species, ROS
Related Pathways
Metabolism, NF-κB, Immunology/Inflammation
Purity
0.9798
Bioactivity
Reynoutrin (Reinutrin) with antioxidant and radical-scavenging activity.
Smiles
O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Molecular Formula
C20H18O11
Molecular Weight
434.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Reynoutrin

Quercetin-3-O-beta-D-xylopyranoside is a quercetin O-glycoside that is quercetin attached to a beta-D-xylopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from Mimosa diplotricha. It has a role as a plant metabolite. It is a tetrahydroxyflavone, a monosaccharide derivative, a xylose derivative and a quercetin O-glycoside.

CAS Number549-32-6
PubChem CID5320861
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Molecular FormulaC20H18O11
Molecular Weight434.3
XLogP0.4
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1
InChIKey
PZZRDJXEMZMZFD-BWYUNELBSA-N
Chemical Structure
2D Structure
2D structure of Reynoutrin
CAS: 549-32-6
CID: 5320861
Formula: C20H18O11
MW: 434.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.3
XLogP30.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass434.08491139
Monoisotopic Mass434.08491139
Topological Polar Surface Area186 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6199-50Reynoutrin

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