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ScientificNameLabel
Thujanol
PHCD compound ID : 330
Chemical Names :
iso-3-Thujanol , Thujanol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: 1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-ol , 4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanol , 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol , 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
Smiles: O[C@H]1C[C@@]2([C@H]([C@@H]1C)C2)C(C)C
InChi : InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m0/s1
InChi Key : InChIKey=DZVXRFMREAADPP-AATLWQCWSA-N
PubChem ID : 10550
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.047945
Hydrogen bond donor count : 1 Electric dipole moment : 1.748
XLogP : 2.847 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.628000
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'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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