Structure Database (LMSD)
Common Name
Myrcene
Systematic Name
Synonyms
3D model of Myrcene
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
β-Myrcene is a terpene that has been found in Cannabis and has antioxidative properties.1 It reduces thiobarbituric acid reactive substance (TBARS) and increases glutathione (GSH), catalase, GSH peroxidase, and CuZn superoxide dismutase levels in a rat model of persistent environmental pollutant-induced oxidative stress when administered at a dose of 200 mg/kg per day.2
This information has been provided by Cayman Chemical
References
1. Lewis, M.A., Russo, E.B., and Smith, K.M. Pharmacological foundations of Cannabis chemovars. Planta Med. 84(4), 225-233 (2018).
String Representations
InChiKey (Click to copy)
UAHWPYUMFXYFJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILES (Click to copy)
C(=C)(C=C)CC/C=C(/C)\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
173.64
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.48
Molar Refractivity
48.00
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Created at
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Updated at
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