Isorhapontin

CAT: 0931-TN5752-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN5752-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

32727-29-0

Target

Antifungal

Related Pathways

Microbiology/Virology

Purity

0.9805

Bioactivity

Isorhapontin inhibits the activity of Trichoderma cellobiohydrolase I (Ki = 57.2 μM) and Trichoderma endoglucanase I. Isorhapontin shows antifungal activity.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Isorhapontin

Isorhapontin is a glycoside and a stilbenoid.

CAS Number	32727-29-0
PubChem CID	5281716
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 Formula	C21H24O9
Molecular Weight	420.4
XLogP	1.1
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	559

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

CAS: 32727-29-0

CID: 5281716

Formula: C21H24O9

MW: 420.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.4
XLogP3	1.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	420.14203234
Monoisotopic Mass	420.14203234
Topological Polar Surface Area	149 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	559
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-I214245-1MG	Isorhapontin

Isorhapontin

Chemical Information

Alternative Products

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