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Isoastilbin

CAT: 0931-TN1772-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1772-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54081-48-0
Target
Anti-infection, Tyrosinase, Antibacterial
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Purity
0.9995
Bioactivity
Isoastilbin is a dihydroflavonol glycoside compound found in Rhizoma Smilacis glabrae and Astragalus membranaceus. Isoastilbin inhibits glucosyltransferase (GTase) with an IC50 value of 54.3 μg/mL and possesses anti-acne and tyrosinase inhibition properties. Additionally, isoastilbin demonstrates neuroprotective, antioxidation, antimicrobial, and anti-apoptotic properties, indicating potential for Alzheimer's disease research.
Smiles
CC1OC(OC2C(Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)C(O)C(O)C1O
Molecular Formula
C21H22O11
Molecular Weight
450.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isoastilbin

CID 9981176 has been reported in Neolitsea aurata, Smilax corbularia, and other organisms with data available.

CAS Number54081-48-0
PubChem CID9981176
IUPAC Name(2R,3S)-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-OOHAXVOVSA-N
Chemical Structure
2D Structure
2D structure of Isoastilbin
CAS: 54081-48-0
CID: 9981176
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

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CatalogName
FI74538-01Isoastilbin

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