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Praeruptorin A (c)

CAT: 1410-M38912-01Size: 1 EachDry Ice: NoHazardous: No
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Description
(-) -Praeruptorin A has anti-inflammatory, anti-contractile and anti-hyperplasia activities, it exerts distinct relaxant effects on isolated rat aorta rings dependent on endothelium and nitric oxide synthesis; it also can significantly suppress airway inflammation and airway remodeling induced by ovalbumin challenge, and is a potential candidate for the treatment of asthma.
CAS Number
14017-71-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.4
Molecular Formula
C21H22O7
Notes
Research use only, not for human use.
Receptor
Calcium Channel

Chemical Information

(-)-Praeruptorin A

(-)-Praeruptorin A has been reported in Peucedanum japonicum, Prionosciadium thapsoides, and Kitagawia praeruptora with data available.

CAS Number14017-71-1
PubChem CID9821539
IUPAC Name[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-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](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
InChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
InChIKey
XGPBRZDOJDLKOT-YRCPKEQFSA-N
Chemical Structure
2D Structure
2D structure of (-)-Praeruptorin A
CAS: 14017-71-1
CID: 9821539
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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