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ScientificNameLabel
Thujanol-4
PHCD compound ID : 817
Chemical Names :
Thujanol-4 , trans sabinene hydrat , Trans Sabinene hydrate
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol , (1S,4R,5R)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanol , (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol , (1S,4R,5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol
Smiles: CC([C@]12CC[C@@]([C@@H]2C1)(C)O)C
InChi : InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChi Key : InChIKey=KXSDPILWMGFJMM-AEJSXWLSSA-N
PubChem ID : 6326181
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.127625
Hydrogen bond donor count : 1 Electric dipole moment : 1.416
XLogP : 2.756 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.502000
Herb list :
Refrences & Litretures:
  
59.      Journal:'Phytother. Res'      Year:'2004'      Volume:'18'      Page:'990'      DOI:'10.1002/ptr.1594'      Title:'Antifungal Effect of Various Essential Oils against Candida albicans. Potentiation of Antifungal Action of Amphotericin B by Essential Oil from Thymus vulgaris'
170.      Journal:'J. Crop Prot'      Year:'2012'      Volume:'1'      Page:'313'      DOI:''      Title:'Chemical composition and insecticide activity of lemon verbena essential oil'
576.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1305'      DOI:'10.1016/j.foodchem.2011.05.083'      Title:'Identi?cation of ambiguous cubeb fruit by DART-MS-based ?ngerprinting combined with principal component analysis'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
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