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Wilforine

CAT: 0013-GTR19167830-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167830-02Size:5 mg
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Description
Wilforine is a bioactive sesquiterpene pyridine alkaloid from Tripterygium wilfordii with demonstrated anti-fibrotic and anti-inflammatory properties, linked to the suppression of TNF-α, IL-6, and NO. Its bioactivity extends to insecticidal effects via Na+/K+-ATPase inhibition, supporting applications in pulmonary fibrosis research and neuropharmacological studies both in vitro and in vivo.
CAS Number
11088-09-8
Product Name Alternative
Na+/K+-ATPase, inhibit, Inhibitor, Wilforine
Field of Research
Pharmacology & Drug Discovery
Purity
98.40% (May vary between batches)
Solubility
DMSO:50 mg/mL (57.61 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.3 mM)
Smiles
CC (OC[C@]12[C@@]34[C@@H] ([C@] ([C@H] ([C@H]2OC (C) =O) OC (C) =O) ([H]) [C@@] (O3) (COC (C5=CC=CN=C5CC[C@@H] (C (O[C@] ([C@@H] ([C@@H]1OC (C) =O) OC (C6=CC=CC=C6) =O) ([H]) [C@@]4 (O) C) =O) C) =O) C) OC (C) =O) =O
Molecular Formula
C43H49NO18
Molecular Weight
867.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Wilforine

Wilforine is an organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii. It has a role as a phytogenic insecticide and a plant metabolite. It is a pyridine alkaloid, a benzoate ester, an organic heteropentacyclic compound, an acetate ester, a macrocyclic lactone and a dihydroagarofuran sesquiterpenoid.

CAS Number11088-09-8
PubChem CID3002219
IUPAC Name[(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Molecular FormulaC43H49NO18
Molecular Weight867.8
XLogP2.2
Topological Polar Surface Area253
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Heavy Atom Count62
Formal Charge0
Complexity1800
SMILES
C[C@H]1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H]([C@]([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1
InChIKey
ZOCKGJZEUVPPPI-QSNSFFMXSA-N
Chemical Structure
2D Structure
2D structure of Wilforine
CAS: 11088-09-8
CID: 3002219
Formula: C43H49NO18
MW: 867.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight867.8
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Exact Mass867.29496371
Monoisotopic Mass867.29496371
Topological Polar Surface Area253 Ų
Heavy Atom Count62
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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