Skip Navigation Links
ScientificNameLabel
Alpha-Bergamotene cis
PHCD compound ID : 188
Chemical Names :
Alpha-Bergamotene cis , Cis-alpha-Bergamotene , cis -Alpha -bergamotene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,5R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
Smiles: CC(=CCC[C@]1(C)[C@@H]2CC=C([C@H]1C2)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m1/s1
InChi Key : InChIKey=YMBFCQPIMVLNIU-RBSFLKMASA-N
PubChem ID : 91753502
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.086878
Hydrogen bond donor count : 0 Electric dipole moment : 0.489
XLogP : 6.104 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.366000
Herb list :
Refrences & Litretures:
  
11.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'555'      Page:'157'      DOI:'10.1016/j.aca.2005.08.071'      Title:'Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach'
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.)'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
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'
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'
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'
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'
679.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'140'      DOI:'10.1080/14786419.2010.535150'      Title:'Chemical markers in Origanum vulgare L. from Kumaon Himalayas: a chemosystematic study'
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us