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ScientificNameLabel
2-Thujene
PHCD compound ID : 3109
Chemical Names :
2-Thujene , beta-Thujène , Beta-Thujene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: 1-isopropyl-4-methyl-bicyclo[3.1.0]hex-2-ene , 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene , 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-2-ene
Smiles: C[C@H]1C=C[C@]2([C@@H]1C2)C(C)C
InChi : InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3/t8-,9+,10+/m0/s1
InChi Key : InChIKey=GJYKUZUTZNTBEC-IVZWLZJFSA-N
PubChem ID : 520384
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.469368
Hydrogen bond donor count : 0 Electric dipole moment : 0.322
XLogP : 4.425 VDW volume : 154.166929
Molecular weight : 136.125201 HOMO-LUMO gap : 10.512000
Herb list :
Refrences & Litretures:
  
412.      Journal:'J. Agr. Sci. Tech'      Year:'2012'      Volume:'14'      Page:'1013'      DOI:''      Title:'Antioxidant Activity of Essential Oil from Black Zira (Bunium persicum Boiss.) Obtained by Microwave-assisted Hydrodistillation'
639.      Journal:'LA RIVISTA ITALIANA DELLE SOSTANZE GRASSE'      Year:'2010'      Volume:'LXXXVII'      Page:'218'      DOI:''      Title:'Fatty acids and essential oil composition of borage (Borago officinalis L.) stalk leaves during their development'
687.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2012'      Volume:'11'      Page:'1219'      DOI:''      Title:'Hepatoprotective and Hypolipidemic Effects of Satureja Khuzestanica Essential Oil in Alloxan-induced Type 1 Diabetic Rats'
915.      Journal:'International Journal of Plant Science and Ecology'      Year:'2015'      Volume:'1'      Page:'138'      DOI:''      Title:'Essential Oil Composition of Marrubium vulgare L. Cultivated in Egypt'
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