Wilforine

CAT: 0931-T6S1049-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T6S1049-02Size:5 mg

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

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CAS Number

11088-09-8

Target

ATPase

Related Pathways

Membrane transporter/Ion channel

Purity

0.9985

Bioactivity

Wilforine, a sesquiterpene pyridine alkaloid, is an important bioactive compound in T. wilfordii plants and is effective in treating idiopathic pulmonary fibrosis. Wilforine exhibits an anti-inflammatory effect, which might be mediated by the down-regulation of inflammatory factors TNF-α, IL-6, and NO. Additionally, it has insecticidal activity by inhibiting the Na+-K+-ATPase in the central nervous system.

Smiles

CC1CCc2ncccc2C(=O)OCC2(C)OC34C(OC(C)=O)C2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(OC(=O)c2ccccc2)C(OC1=O)C4(C)O

Molecular Formula

C43H49NO18

Molecular Weight

867.85

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	11088-09-8
PubChem CID	3002219
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 Formula	C43H49NO18
Molecular Weight	867.8
XLogP	2.2
Topological Polar Surface Area	253
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	14
Heavy Atom Count	62
Formal Charge	0
Complexity	1800

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

CAS: 11088-09-8

CID: 3002219

Formula: C43H49NO18

MW: 867.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	867.8
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	14
Exact Mass	867.29496371
Monoisotopic Mass	867.29496371
Topological Polar Surface Area	253 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1800
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T5S1054-01	Wilforgine
TN2306	Wilfordine
TN2307	Wilfornine A
T3382-01	Wilforlide A
TN2308	Wilfortrine
TN6017-01	Wilsonine
T40937	Wilforlide B
TMA0925-01	Wilforlide A acetate
TN8138-01	Wilforic acid A

Alternative Products

Catalog	Name
MBS3611418-01	Wilforine
HY-N0899R	Wilforine (Standard)
372071	Wilforine discontinued

Wilforine

Chemical Information

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