Structure Database (LMSD)
Common Name
alpha-Terpinene
Systematic Name
Synonyms
3D model of alpha-Terpinene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
Biological Context
α-Terpinene is a terpenoid that has been found in Cannabis and has diverse biological activities, including acaricidal, antiprotozoal, and antioxidant properties.1,2 α-Terpinene induces 99 and 46% mortality of male and female T. putrescentiae larvae, respectively, when administered at a dose of 32.3 µl/L via inhalation.3 In mice infected with T. evansi, it increases longevity when used alone and decreases mortality when used in combination with diminazene aceturate .4 It also scavenges 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals when used at a concentration of 10 mM.5
This information has been provided by Cayman Chemical
References
1. Ross, S.A., and ElSohly, M.A. The volatile oil composition of fresh and air-dried buds of Cannabis sativa. J. Nat. Prod. 59(1), 49-51 (1996).
2. Kim, H.J., Chen, F., Wu, C., et al. Evaluation of antioxidant activity of Australian tea tree (Melaleuca alternifolia) oil and its components. J. Agric. Food Chem. 52(10), 2849-2854 (2004).
4. Sánchez-Ramos, I., and Castañera, P. Acaricidal activity of natural monoterpenes on Tyrophagus putrescentiae (Schrank), a mite of stored food. J. Stored Prod. Res. 37(1), 93-101 (2000).
5. Giese, M.W., Lewis, M.A., Giese, L., et al. Development and Validation of a Reliable and Robust Method for the Analysis of Cannabinoids and Terpenes in Cannabis. J. AOAC Int. 98(6), 1503-1522 (2015).
String Representations
InChiKey (Click to copy)
YHQGMYUVUMAZJR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
SMILES (Click to copy)
C1(=CC=C(C)CC1)C(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
163.92
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.31
Molar Refractivity
45.91
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Created at
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Updated at
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