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Pteryxin

CAT: 0013-GTR19168869-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168869-01Size:2 mg
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Description
(+) -Pteryxin is a bioactive coumarin with documented muscle relaxant properties. Research indicates it also exhibits hepatoprotective effects and inhibits nitric oxide production, making it a compound of interest for pharmacological studies in inflammation and liver injury models, both in vitro and in vivo.
CAS Number
13161-75-6
Product Name Alternative
Pteryxin, inhibit, Inhibitor, Cholinesterase (ChE), (+) -Pteryxin, AChE
Field of Research
Immunology & Inflammation, Neuroscience, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.00 mg/mL (5.18 mM) ; DMSO:50.00 mg/mL (129.40 mM)
Smiles
C\C=C (\C) C (=O) O[C@H]1[C@@H] (OC (C) =O) C (C) (C) Oc2ccc3ccc (=O) oc3c12
Molecular Formula
C21H22O7
Molecular Weight
386.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pteryxin

Pteryxin is a member of coumarins.

CAS Number13161-75-6
PubChem CID5281425
IUPAC Name[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC21H22O7
Molecular Weight386.4
XLogP3.1
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity720
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
InChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
InChIKey
LYUZYPKZQDYMEE-YRCPKEQFSA-N
Chemical Structure
2D Structure
2D structure of Pteryxin
CAS: 13161-75-6
CID: 5281425
Formula: C21H22O7
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass386.13655304
Monoisotopic Mass386.13655304
Topological Polar Surface Area88.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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