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ScientificNameLabel
trans-Rose oxide
PHCD compound ID : 1110
Chemical Names :
trans-Rose oxide , trans-Rose-oxide
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran , (2R,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane
Smiles: C[C@@H]1CCO[C@H](C1)C=C(C)C
InChi : InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10+/m1/s1
InChi Key : InChIKey=CZCBTSFUTPZVKJ-ZJUUUORDSA-N
PubChem ID : 7093102
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.193355
Hydrogen bond donor count : 0 Electric dipole moment : 1.976
XLogP : 2.696 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.458000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
116.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF THE ESSENTIAL OIL FROM LEAVES OF ALGERIAN MELISSA OFFICINALIS L'
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
530.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'3840'      DOI:'10.1021/jf021187b'      Title:'Sensory and Instrumental Evaluation of Catnip (Nepeta cataria L.) Aroma'
633.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2011'      Volume:'1'      Page:'19'      DOI:'10.1080/22311866.2011.10719069'      Title:'Chemical Composition and Antimicrobial Activity of Rosa damascena Mill Essential Oil'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
636.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'55'      DOI:'10.1080/10412905.2012.751555'      Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
878.      Journal:'Iran J Microbiol'      Year:'2012'      Volume:'4'      Page:'171'      DOI:''      Title:'Antibacterial activity and composition of essential oils from Pelargonium graveolens L’Her and Vitex agnus-castus L'
879.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'372'      DOI:'10.1080/10412905.2013.782476'      Title:'Essential oil composition of Pelargonium graveolens L’Her ex Ait. cultivars harvested in different seasons'
919.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'Chemical composition and antimicrobial activity of the essential oil from leaves of Algerian Melissa officinalis L'
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