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ScientificNameLabel
Alpha-bisobolol
PHCD compound ID : 1618
Chemical Names :
epi-alpha-Bisabolol , Alpha-bisobolol , Alpha-bisapolol , Bisabolol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol , (2S)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]-5-hepten-2-ol
Smiles: CC(=CCC[C@@]([C@@H]1CCC(=CC1)C)(O)C)C
InChi : InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1
InChi Key : InChIKey=RGZSQWQPBWRIAQ-GJZGRUSLSA-N
PubChem ID : 1201551
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.225638
Hydrogen bond donor count : 1 Electric dipole moment : 1.379
XLogP : 4.085 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.517000
Herb list :
 
- Eryngium campestre - زول، بوقناق
Abraham's blam, Chaste tree - Vitex pseudo-negundo - پنج انگشت، بنگرو، بنگله، درخت پاکدامنی
Camphre - Cinnamomum camphora - کافور
Carrot - Daucus carota - هویج
Chaste tree , Vitex - Vitex agnus-castus - پنج انگشت، فلفل بری
Cinnamon - Cinnamomum zeylanicum - دارچین
Hemp - Cannabis sativa - شاهدانه
Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش
Oxtongue flower - Echium amoenum - گل گاو زبان
Perovskia - Perovskia abrotanoides - برازمبل
True lavender - Lavandula officinalis - اسطوخودوس
Valerian - Valeriana officinalis - سنبل الطیب، والرین، سنبل الطیب اروپایی
Yarrow - Achillea millefolium - بومادران
Refrences & Litretures:
  
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
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'
323.      Journal:'J. Agric. Food Chem'      Year:'2000'      Volume:'48'      Page:'4294'      DOI:'10.1021/jf991395c'      Title:'Chemical Composition of the Flower Oil of Cinnamomum zeylanicum Blume'
326.      Journal:'Z. Naturforsch. C'      Year:'2002'      Volume:'57'      Page:'990'      DOI:''      Title:'Chemical Composition of Volatile Oil from Cinnamomum zeylanicum Buds'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
488.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'259'      DOI:'10.1002/ffj.993'      Title:'Essential oils of different cultivars of Cannabis sativa L. and their antimicrobial activity'
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'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
642.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'61'      DOI:'10.1080/0972060X.2005.10643422'      Title:'Essential Oil Composition of Echium amoenum Fisch. & C.A. Mey'
670.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'400'      DOI:'10.1080/10412905.2014.964428'      Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
735.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'784'      DOI:''      Title:'Chemical composition and antioxidant activity of the essential oil and the methanol extract of Algerian wild carrot Daucus carota L. ssp. carota. (L.) Thell'
760.      Journal:'International Journal of ChemTech Research'      Year:'2014'      Volume:'6'      Page:'4918'      DOI:''      Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'
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'
838.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'308'      DOI:'10.1080/10412905.2006.9699098'      Title:'Chemical Composition of Leaf, Flower and Fruit Oil of Vitex pseudo-negundo (Hausskn.) Hand.-Mzt. From Iran'
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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