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α-Thujone

CAT: 0013-GTR19167220-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167220-01Size:10 mg
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Description
α-Thujone is a small molecule inhibitor of acetylcholinesterase (AChE) with an IC50 of 24.7 μM. It is used in neuroscience research to study cholinergic signaling and has been investigated in vitro for its neuroactive properties.
CAS Number
546-80-5
Product Name Alternative
Apoptosis, a-Thujone, Autophagy, anthelmintic, antinociceptive, anti-invasive, anti-tumor, ALPHA- (-) -THUJONE, ALPHA-THUJONE, BBB, AChR, GABAReceptor, GABA Receptor, GABAA, Gamma-aminobutyric acid Receptor, insecticidal, Parasite, Inhibitor, inhibit, Monoterpene, α Thujone, αThujone, α-Thujone, γ-Aminobutyric acid Receptor, ROS, stress, oxidative, Thujone, ReactiveOxygenSpecies, Reactive Oxygen Species, pro-apoptotic
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.02% (May vary between batches)
Solubility
DMSO:4.4 mg/mL (28.9 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (6.57 mM)
Smiles
[H][C@]12C[C@]1 (CC (=O) [C@@H]2C) C (C) C
Molecular Formula
C10H16O
Molecular Weight
152.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thujone

(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone. It is an enantiomer of a (+)-alpha-thujone.

CAS Number546-80-5
PubChem CID261491
IUPAC Name(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Molecular FormulaC10H16O
Molecular Weight152.23
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity207
SMILES
C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
InChIKey
USMNOWBWPHYOEA-MRTMQBJTSA-N
Chemical Structure
2D Structure
2D structure of Thujone
CAS: 546-80-5
CID: 261491
Formula: C10H16O
MW: 152.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.23
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass152.120115130
Monoisotopic Mass152.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity207
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

Related Products

CatalogName
GTR19279453-01α-Thujene

Alternative Products

CatalogName
HY-121618-01α-Thujone
MBS5759014Thujone
sc-252342A(-) -α-Thujone
sc-239168α, β-Thujone
BUP11309-01A-Thujone
TN8494-01Thujone (α- and β- Mixture)
CS-O-58200Cis-Thujone
HY-121618Rα-Thujone (Standard)
TRC-T006230-0.5MLalpha-Thujone
AR-T04994-01Beta-Thujone

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