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ScientificNameLabel
Isobornyl acetate
PHCD compound ID : 290
Chemical Names :
Isobornyl acetate , Borneol,iso-,acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate , acetic acid [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate , [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: CC(=O)O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
InChi : InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
InChi Key : InChIKey=KGEKLUUHTZCSIP-SCVCMEIPSA-N
PubChem ID : 247573
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.316937
Hydrogen bond donor count : 0 Electric dipole moment : 2.295
XLogP : 3.474 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.565000
Herb list :
 
Absinthium, Wormwood - Artemisia absinthium - افسنطین
Black cumin, Nutmeg flower, Fennel-flower, Roman coriander - Nigella sativa - سیاه دانه، شونیز
Camphre - Cinnamomum camphora - کافور
Chaste tree , Vitex - Vitex agnus-castus - پنج انگشت، فلفل بری
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Erio yarrow - Achillea eriophora - بومادران
Ginger - Zingiber officinale - زنجبیل
Kotschyam thyme - Thymus kotschyanus - آويشن
Moringa - Moringa peregrina - گز روغنی، گاز رخ
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Nutmeg - Myristica fragrans - جوز بویا
Perovskia - Perovskia abrotanoides - برازمبل
Small-leaved linden, Tillet tree - Tilia cordata - زیرفون، نمدار برگ‌ریز
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Refrences & Litretures:
  
17.      Journal:'Pharm Biol'      Year:'2013'      Volume:'51'      Page:'888'      DOI:'10.3109/13880209.2013.768676'      Title:'Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India'
63.      Journal:'e-Gnosis'      Year:'2006'      Volume:'4'      Page:'1'      DOI:''      Title:'Chemical composition and fungicidal activity of the essential oil of Thymus vulgaris against Alternaria citri'
70.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2002'      Volume:'29'      Page:'691'      DOI:''      Title:'GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle'
80.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'117'      DOI:'10.1080/0972060X.2013.764159'      Title:'Essential Oil Compositions of Thymus kotschyanus Boiss. Obtained by Hydrodistillation and Microwave Oven Distillation'
151.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'617'      DOI:'10.1080/0972060X.2011.10643980'      Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
166.      Journal:'Flora'      Year:'2011'      Volume:'206'      Page:'397'      DOI:'10.1016/j.?ora.2010.08.002'      Title:'Inter-population variability of leaf morpho-anatomical and terpenoid patterns of Pistacia atlantica Desf. ssp. atlantica growing along an aridity gradient in Algeria'
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
275.      Journal:'J Sci Food Agric'      Year:'2012'      Volume:'92'      Page:'593'      DOI:'10.1002/jsfa.4613'      Title:'Chemical composition, antioxidant and cytotoxicity activities of the essential oils of Myristica fragrans and Morinda citrifolia'
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
564.      Journal:'Braz. arch. biol. technol'      Year:'2000'      Volume:'43'      Page:'3'      DOI:'10.1590/S1516-89132000000300011'      Title:'Essential Oils of Camphor Tree (Cinnamomum camphora Nees & Eberm) Cultivated in Southern Brazil'
764.      Journal:'Research in Pharmaceutical Sciences'      Year:'2012'      Volume:'7'      Page:'51'      DOI:''      Title:'Determination of volatile glucosinolate degradation products in seed coat, stem and in vitro cultures of Moringa peregrina (Forssk.) Fiori'
766.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'59'      DOI:''      Title:'Chemical composition of the volatile fraction of Perovskia abrotanoides and Nepeta glomerulosa growing wild in Iran by different extraction methods'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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