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Astilbin

CAT: 0931-T2794-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2794-01Size:5 mg
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CAS Number
29838-67-3
Target
TNF, Nrf2, NF-κB
Related Pathways
NF-κB, Apoptosis, Immunology/Inflammation
Purity
0.9986
Bioactivity
Astilbin (Neoastilbin) is actions Flavonoid phytochemical found in St. John′s wort and Traditional Chinese Medicine herbal preparations.
Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Molecular Formula
C21H22O11
Molecular Weight
450.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Astilbin

Astilbin is a flavanone glycoside that is (+)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It has a role as a radical scavenger, an anti-inflammatory agent and a plant metabolite. It is a member of 4'-hydroxyflavanones, an alpha-L-rhamnoside, a tetrahydroxyflavanone, a member of 3'-hydroxyflavanones, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a (+)-taxifolin. It is an enantiomer of a neoastilbin.

CAS Number29838-67-3
PubChem CID119258
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O11
Molecular Weight450.4
XLogP0.4
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity676
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
InChIKey
ZROGCCBNZBKLEL-MPRHSVQHSA-N
Chemical Structure
2D Structure
2D structure of Astilbin
CAS: 29838-67-3
CID: 119258
Formula: C21H22O11
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP30.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass450.11621151
Monoisotopic Mass450.11621151
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB1131Astilbin

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