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ScientificNameLabel
3-neoisothujanol
PHCD compound ID : 2791
Chemical Names :
3-neoisothujanol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1S,3R,4S,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-ol , (1S,3R,4S,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanol , (1S,3R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol , (1S,3R,4S,5R)-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-JLIMGVALSA-N
PubChem ID : 12304605
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.077000
Hydrogen bond donor count : 1 Electric dipole moment : 1.540
XLogP : 2.847 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.674000
Herb list :
Refrences & Litretures:
  
336.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'9124'      DOI:'10.1021/jf071646e'      Title:'Chemical Composition of the Volatile Extract and Antioxidant Activities of the Volatile and Nonvolatile Extracts of Egyptian Corn Silk (Zea mays L.)'
881.      Journal:'Food Chemistry'      Year:'2012'      Volume:'130'      Page:'882'      DOI:'10.1016/j.foodchem.2011.07.119'      Title:'Neuroprotective potential of some terebinth coffee brands and the unprocessed fruits of Pistacia terebinthus L. and their fatty and essential oil analyses'
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