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Kanshone A

CAT: 0804-HY-N8979-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8979-01Size:1 mg
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Description
Kanshone A is a sesquiterpene isolated from the roots of Nardostachys chinensis (Valerianaceae) . Kanshone A shows cytotoxic with an IC50 value of 7.0 µg/ml in P388 cells[1][2].
CAS Number
115356-18-8
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/kanshone-a.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C[C@@H](C(C)(O)C)[C@@]2(C)[C@H](C)CCC=C12
Molecular Formula
C15H22O2
Molecular Weight
234.33
References & Citations
Nardostachys chinensis
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Kanshone A

Kanshone A has been reported in Nardostachys jatamansi with data available.

CAS Number115356-18-8
PubChem CID10466564
IUPAC Name(4R,4aR,5R)-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity403
SMILES
C[C@@H]1CCC=C2[C@]1([C@@H](C=CC2=O)C(C)(C)O)C
InChI
InChI=1S/C15H22O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7-10,13,17H,5-6H2,1-4H3/t10-,13+,15+/m1/s1
InChIKey
CSSWGHXLDCLRSF-DGFSRKRXSA-N
Chemical Structure
2D Structure
2D structure of Kanshone A
CAS: 115356-18-8
CID: 10466564
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity403
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

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