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2-Acetoxyacorenone

CAT: 0931-TN11464-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11464-02Size:50 mg
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CAS Number
185154-95-4
Target
Beta-Secretase, Cholinesterase (ChE)
Related Pathways
Neuroscience
Bioactivity
2-Acetoxyacorenone (compound 8) is a sesquiterpenoid compound that can be isolated from the rhizomes of Acorus tatarinowii. It exhibits potential inhibition activity against AChE and β-BACE1, making it useful for Alzheimer's disease research.
Smiles
C(C)(C)[C@H]1[C@]2([C@@H](C)C[C@H]1OC(C)=O)CC(=O)C(C)=CC2
Molecular Formula
C17H26O3
Molecular Weight
278.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Acetoxyacorenone

2-Acetaxyacorenone has been reported in Acorus calamus with data available.

CAS Number185154-95-4
PubChem CID10850234
IUPAC Name[(1S,3R,4S,5S)-1,8-dimethyl-9-oxo-4-propan-2-ylspiro[4.5]dec-7-en-3-yl] acetate
Molecular FormulaC17H26O3
Molecular Weight278.4
XLogP3.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity449
SMILES
C[C@H]1C[C@H]([C@H]([C@]12CC=C(C(=O)C2)C)C(C)C)OC(=O)C
InChI
InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3/t12-,15+,16+,17-/m0/s1
InChIKey
LDEHIZSFHFOEKN-DXEWXGHRSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetoxyacorenone
CAS: 185154-95-4
CID: 10850234
Formula: C17H26O3
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass278.18819469
Monoisotopic Mass278.18819469
Topological Polar Surface Area43.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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