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ScientificNameLabel
Beta-bisabolol
PHCD compound ID : 1013
Chemical Names :
Beta-bisabolol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 1-(1,5-dimethylhex-4-enyl)-4-methyl-cyclohex-3-en-1-ol , 4-methyl-1-(6-methylhept-5-en-2-yl)-1-cyclohex-3-enol , 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
Smiles: CC(=CCC[C@H]([C@@]1(O)CCC(=CC1)C)C)C
InChi : InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m1/s1
InChi Key : InChIKey=WTVHAMTYZJGJLJ-CABCVRRESA-N
PubChem ID : 27208
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.178099
Hydrogen bond donor count : 1 Electric dipole moment : 1.914
XLogP : 3.874 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.420000
Herb list :
 
- Salvia hydrangea DC. Ex Benth - مریم گلی تماشائی، عقربان، گل ارونه
Balm - Melissa officinalis - فرنجمشک، وارنگ بو، بارنگ بو
Black cumin, Nutmeg flower, Fennel-flower, Roman coriander - Nigella sativa - سیاه دانه، شونیز
Carrot - Daucus carota - هویج
Chamomile - Matricaria chamomilla - بابونه شيرازی، بابونه
Cinnamon - Cinnamomum zeylanicum - دارچین
Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ
Cubeb pepper, Cubeb - Piper cubeba - کبابه، کبابه چینی
Daneweed, Davewort - Sambucus ebulus - پلم، شوند، آقطی
Hemp - Cannabis sativa - شاهدانه
Poleygermander - Teucrium polium - کلپوره، مریم نخودی
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
  
103.      Journal:'International Journal of Food Microbiology'      Year:'2010'      Volume:'139'      Page:'127'      DOI:'10.1016/j.ijfoodmicro.2010.03.032'      Title:'Effect of Matricaria chamomilla L. ?ower essential oil on the growth and ultrastructure of Aspergillus niger van Tieghem'
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'
129.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'789'      DOI:'10.1080/14786410902900085'      Title:'Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction'
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
326.      Journal:'Z. Naturforsch. C'      Year:'2002'      Volume:'57'      Page:'990'      DOI:''      Title:'Chemical Composition of Volatile Oil from Cinnamomum zeylanicum Buds'
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
373.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'191'      DOI:'10.1002/ffj.1780'      Title:'Comparison of chemical composition and antifungal activity of Curcuma longa L. leaf oils produced by different water distillation techniques'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
491.      Journal:'J. Nut. Prod'      Year:'1996'      Volume:'59'      Page:'49'      DOI:''      Title:'The Volatile Oil Composition of Fresh and Air-Dried Buds of Cannabis sativa'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
600.      Journal:'Industrial Crops and Products'      Year:'2014'      Volume:'54'      Page:'130'      DOI:'10.1016/j.indcrop.2014.01.015'      Title:'Variability in essential oil of Teucrium polium L. of different latitudinal populations'
737.      Journal:'Journal of Ethnopharmacology'      Year:'2008'      Volume:'119'      Page:'129'      DOI:'10.1016/j.jep.2008.06.012'      Title:'Essential oil of Daucus carota subsp. halophilus: Composition, antifungal activity and cytotoxicity'
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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