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ScientificNameLabel
cis-Thujone
PHCD compound ID : 328
Chemical Names :
cis-Thujone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1R,4S,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one , (1R,4S,5S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanone , (1R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one , (1R,4S,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one
Smiles: O=C1C[C@@]2([C@H]([C@@H]1C)C2)C(C)C
InChi : InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m0/s1
InChi Key : InChIKey=USMNOWBWPHYOEA-OYNCUSHFSA-N
PubChem ID : 12304612
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.972507
Hydrogen bond donor count : 0 Electric dipole moment : 2.974
XLogP : 2.434 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.923000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
693.      Journal:'BioMed Research International'      Year:'2013'      Volume:''      Page:'538940'      DOI:'10.1155/2013/538940'      Title:'Essential Oil of Common Sage (Salvia officinalis L.) from Jordan: Assessment of Safety in Mammalian Cells and Its Antifungal and Anti-Inflammatory Potential'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
920.      Journal:'International Journal of Traditional and Natural Medicines'      Year:'2013'      Volume:'2'      Page:'86'      DOI:''      Title:'Composition and Bioactivity of the Essential Oil of Melissa officinalis L. Growing Wild in Tajikistan'
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