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Eupatoriopicrin

CAT: 0804-HY-N7572-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7572-02Size:5 mg
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Description
Eupatoriopicrin is an antitrypanosomic agent with an IC50 value of 1.2 μM (T. b. rhodesiense) . Eupatoriopicrin is cytotoxic to L6 cells with an IC50 value of 1.6 μM[1].
CAS Number
6856-01-5
UNSPSC
12352005
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/eupatoriopicrin.html
Solubility
10 mM in DMSO
Smiles
O=C(/C(CO)=C/CO)O[C@H](C/C(C)=C/CC1)[C@](C2=C)([H])[C@](/C=C1\C)([H])OC2=O
Molecular Formula
C20H26O6
Molecular Weight
362.42
References & Citations
[1]Julianti T, et a. Antitrypanosomal sesquiterpene lactones from Saussurea costus. Fitoterapia. 2011 Oct;82 (7) :955-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Eupatoriopicrin

Eupatoriopicrin is a germacranolide.

CAS Number6856-01-5
PubChem CID5281461
IUPAC Name[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Molecular FormulaC20H26O6
Molecular Weight362.4
XLogP1.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity670
SMILES
C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2
InChI
InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6+,15-7+/t16-,17-,18+/m1/s1
InChIKey
VWJYWGYJIDQUEG-DKDOXNMLSA-N
Chemical Structure
2D Structure
2D structure of Eupatoriopicrin
CAS: 6856-01-5
CID: 5281461
Formula: C20H26O6
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass362.17293854
Monoisotopic Mass362.17293854
Topological Polar Surface Area93.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN4041Eupatoriopicrin

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