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Isorhapontin

CAT: 0013-GTR19179701-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179701-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isorhapontin is a natural stilbene that acts as a dual inhibitor of fungal cellulases, specifically Trichoderma cellobiohydrolase I (Ki = 57.2 μM) and endoglucanase I. It exhibits antifungal properties, making it a useful research tool for studying enzyme mechanisms and fungal physiology in vitro.
CAS Number
32727-29-0
Product Name Alternative
Isorhapontin, antifungal
Field of Research
Infectious Disease & Virology
Purity
98.00% (May vary between batches)
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C2=CC (/C=C/C3=CC (OC) =C (O) C=C3) =CC (O) =C2
Molecular Formula
C21H24O9
Molecular Weight
420.41
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Isorhapontin

Isorhapontin is a glycoside and a stilbenoid.

CAS Number32727-29-0
PubChem CID5281716
IUPAC Name(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC21H24O9
Molecular Weight420.4
XLogP1.1
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity559
SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
InChIKey
KLPUXMNQDCUPNO-DXKBKAGUSA-N
Chemical Structure
2D Structure
2D structure of Isorhapontin
CAS: 32727-29-0
CID: 5281716
Formula: C21H24O9
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass420.14203234
Monoisotopic Mass420.14203234
Topological Polar Surface Area149 Ų
Heavy Atom Count30
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-I214245-1MGIsorhapontin

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