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Asatone

CAT: 1410-M22439-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M22439-07Size:200 mg
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Description
Asatone, an active component isolated from Radix et Rhizoma Asari, has an anti-inflammatory effect via activation of NF-κB and downregulation of p-MAPK (ERK, JNK, and p38) pathways.
CAS Number
38451-63-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
448.51
Molecular Formula
C24H32O8
Notes
Research use only, not for human use.
Receptor
NF-κB

Chemical Information

1,5,5,7,9,9-Hexamethoxy-3,8a-di(prop-2-en-1-yl)-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4H)-dione
CAS Number38451-63-7
PubChem CID431129
IUPAC Name3,3,5,8,10,10-hexamethoxy-7,11-bis(prop-2-enyl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
Molecular FormulaC24H32O8
Molecular Weight448.5
XLogP1.9
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity878
SMILES
COC1=CC2(C(C3C(=CC2(C(=O)C3(OC)OC)OC)CC=C)C(C1=O)(OC)OC)CC=C
InChI
InChI=1S/C24H32O8/c1-9-11-15-13-22(28-4)20(26)23(29-5,30-6)17(15)18-21(22,12-10-2)14-16(27-3)19(25)24(18,31-7)32-8/h9-10,13-14,17-18H,1-2,11-12H2,3-8H3
InChIKey
XBKKBTPYPCCCKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5,5,7,9,9-Hexamethoxy-3,8a-di(prop-2-en-1-yl)-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4H)-dione
CAS: 38451-63-7
CID: 431129
Formula: C24H32O8
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass448.20971797
Monoisotopic Mass448.20971797
Topological Polar Surface Area89.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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