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Asatone

CAT: 0804-HY-N6826-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-N6826-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Asatone is an active component isolated from Radix et Rhizoma Asari, with anti-inflammatory effect via activation of NF-κB and donwn regulation of p-MAPK (ERK, JNK and p38) pathways[1].
CAS Number
38451-63-7
UNSPSC
12352211
Target
NF-κB
Type
Natural Products
Related Pathways
NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/asatone.html
Purity
99.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C(OC)(OC)[C@@]2([H])[C@@](C(OC)(OC)C3=O)([H])C(CC=C)=C[C@@]3(OC)[C@@]2(CC=C)C=C1OC
Molecular Formula
C24H32O8
Molecular Weight
448.51
References & Citations
[1]Chang HY, et al. Asatone Prevents Acute Lung Injury by Reducing Expressions of NF-[Formula: see text]B, MAPK and Inflammatory Cytokines. Am J Chin Med. 2018;46 (3) :651-671.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

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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