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ScientificNameLabel
Thujone
PHCD compound ID : 366
Chemical Names :
Thujone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1S,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one , (1S,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanone , (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one , (1S,5R)-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+/m1/s1
InChi Key : InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N
PubChem ID : 10931629
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.972542
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:
  
22.      Journal:'Z Lebensm Unters Forsch A'      Year:'1999'      Volume:'208'      Page:'212'      DOI:''      Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
45.      Journal:'Can. J. Plant Sci'      Year:'1977'      Volume:'57'      Page:'681'      DOI:''      Title:'ESSENTIAL OILS FROM SPICES GROWN IN ALBERTA. ANISE OIL (PIMPINELLA ANISUM)'
152.      Journal:'Int. J. Agric. Biol'      Year:'2011'      Volume:'12'      Page:'527'      DOI:''      Title:'Chemical Composition of the Essential Oils of some Achillea Species Growing Wild in Turkey'
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