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Senkyunolide N

CAT: 1410-M32423-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Senkyunolide N exhibits prostaglandin H endoperoxide synthase-I (COX-I) and endoperoxide synthase-II (COX-II) ) Inhibitory activity at pH 7 and at a concentration of 250 pg ml (-1) .
CAS Number
140694-58-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
226.3
Molecular Formula
C12H18O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Senkyunolide N

Senkyunolide N has been reported in Ligusticum striatum, Apium graveolens, and Ligusticum chuanxiong with data available.

CAS Number140694-58-2
PubChem CID15138552
IUPAC Name(3S,6S,7S)-3-butyl-6,7-dihydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
Molecular FormulaC12H18O4
Molecular Weight226.27
XLogP0.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity321
SMILES
CCCC[C@H]1C2=C([C@@H]([C@H](CC2)O)O)C(=O)O1
InChI
InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3/t8-,9-,11+/m0/s1
InChIKey
AXRIHSJZHOTGAE-ATZCPNFKSA-N
Chemical Structure
2D Structure
2D structure of Senkyunolide N
CAS: 140694-58-2
CID: 15138552
Formula: C12H18O4
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass226.12050905
Monoisotopic Mass226.12050905
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes