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1beta-Hydroxyalantolactone

CAT: 0931-TN2539-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2539-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68776-47-6
Target
Interleukin, IL Receptor, NF-κB, TNF
Related Pathways
NF-κB, Immunology/Inflammation, Apoptosis
Purity
0.9985
Bioactivity
1beta-Hydroxyalantolactone is a small molecular compound isolated from the flower head of the medicinal plant giant British flower, which can inhibit the expression of TNF-α, IL-17 and IFN-γ in cells, promote the secretion of TNF-α, IFN-γ and IL-17, and prevent and treat rheumatoid arthritis.
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[H][C@@]12C[C@@]3(C)[C@H](O)CC[C@H](C)C3=C[C@]1([H])C(=C)C(=O)O2
Molecular Formula
C15H20O3
Molecular Weight
248.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1beta-Hydroxyalantolactone

1beta-Hydroxyalantolactone is a sesquiterpene lactone.

CAS Number68776-47-6
PubChem CID71573444
IUPAC Name(3aR,5S,8R,8aR,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity451
SMILES
C[C@H]1CC[C@H]([C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
InChIKey
FRNIMDDQCZHAFA-SCFTVSGOSA-N
Chemical Structure
2D Structure
2D structure of 1beta-Hydroxyalantolactone
CAS: 68776-47-6
CID: 71573444
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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