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α-Terpineol-d6

CAT: 0804-HY-N5142S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N5142S1Size:1 mg
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Description
α-Terpineol-d6 is deuterated labeled α-Terpineol. α-Terpineol (with oral activity) can be found in Eucalyptus globulus Labill. α-Terpineol exhibits strong antimicrobial activity against periodontopathic and cariogenic bacteria.α-Terpineol possesses antifungal activity against T. mentagrophytes, and the activity might lead to irreversible cellular disruption. In addition, α-Terpineol exhibits antineuropathic and anti-inflammatory activities. α-Terpineol can be utilized in research related to diarrhea, neuropathic pain, infections, and inflammation[1][2][3][4][5][6][7].
CAS Number
1263090-98-7
UNSPSC
12352211
Target
Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(O)(C1CCC(C)=CC1)C([2H])([2H])[2H]
Molecular Formula
C10H12D6O
Molecular Weight
160.29
References & Citations
[1]Park SN, et al. Antimicrobial effect of linalool and α-terpineol against periodontopathic and cariogenic bacteria. Anaerobe. 2012 Jun;18 (3) :369-72.|[2]Park MJ, et al. Effect of citral, eugenol, nerolidol and alpha-terpineol on the ultrastructural changes of Trichophyton mentagrophytes. Fitoterapia. 2009 Jul;80 (5) :290-6.|[3]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

CID 169446799
CAS Number1263090-98-7
PubChem CID169446799
IUPAC Name1,1,1,3,3,3-hexadeuterio-2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
Molecular FormulaC10H18O
Molecular Weight160.29
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity168
SMILES
[2H]C([2H])([2H])C(C1CCC(=CC1)C)(C([2H])([2H])[2H])O
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/i2D3,3D3
InChIKey
WUOACPNHFRMFPN-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of CID 169446799
CAS: 1263090-98-7
CID: 169446799
Formula: C10H18O
MW: 160.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.29
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass160.173425669
Monoisotopic Mass160.173425669
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity168
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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