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Euphornin

CAT: 0013-GTR19231719-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231719-02Size:5 mg
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Description
Euphornin is a diterpenoid natural product that selectively inhibits GIRK1/4 (Kir3.1/3.4) potassium channels with an IC50 of 2.63 μM. This activity makes it a valuable pharmacological tool for in vitro and in vivo research on atrial fibrillation and cardiac electrophysiology.
CAS Number
80454-47-3
Field of Research
Pharmacology & Drug Discovery
Purity
99.80% (May vary between batches)
Solubility
DMSO:80.00 mg/mL (136.82 mM)
Smiles
[H][C@@]12\C=C (C) \[C@@H] (C[C@@H] (OC (C) =O) C (C) (C) \C=C\[C@H] (C) [C@H] (OC (C) =O) [C@@]1 (O) C[C@H] (C) [C@@H]2OC (=O) c1ccccc1) OC (C) =O
Molecular Formula
C33H44O9
Molecular Weight
584.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Euphornin

CID 14489120 has been reported in Euphorbia helioscopia with data available.

CAS Number80454-47-3
PubChem CID14489120
IUPAC Name[(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Molecular FormulaC33H44O9
Molecular Weight584.7
XLogP5.1
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity1070
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(/[C@@H](C[C@H](C(/C=C/[C@@H]([C@@H]2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)\C)O
InChI
InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27+,28+,29-,30-,33+/m0/s1
InChIKey
BRVXVMOWTHQKHC-LKCWGRRXSA-N
Chemical Structure
2D Structure
2D structure of Euphornin
CAS: 80454-47-3
CID: 14489120
Formula: C33H44O9
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass584.29853298
Monoisotopic Mass584.29853298
Topological Polar Surface Area125 Ų
Heavy Atom Count42
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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