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ScientificNameLabel
Thujene
PHCD compound ID : 966
Chemical Names :
Thujene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: (5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-ene , (5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene , (5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-3-ene
Smiles: CC1=CC[C@]2([C@@H]1C2)C(C)C
InChi : InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=KQAZVFVOEIRWHN-NXEZZACHSA-N
PubChem ID : 6451618
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.118272
Hydrogen bond donor count : 0 Electric dipole moment : 0.277
XLogP : 4.177 VDW volume : 154.166929
Molecular weight : 136.125201 HOMO-LUMO gap : 10.304000
Herb list :
Refrences & Litretures:
  
89.      Journal:'Food Control'      Year:'2007'      Volume:'18'      Page:'1043'      DOI:'10.1016/j.foodcont.2006.06.010'      Title:'Effects of Zataria multiflora Boiss. essential oil and nisin on Bacillus cereus ATCC 11778'
129.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'789'      DOI:'10.1080/14786410902900085'      Title:'Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction'
132.      Journal:'Phytother. Res'      Year:'2007'      Volume:'21'      Page:'427'      DOI:'10.1002/ptr.2077'      Title:'In vitro Activities of Citrus medica L. cv. Diamante (Diamante citron) relevant to Treatment of Diabetes and Alzheimer’s disease'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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