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ScientificNameLabel
bicycloelemene
PHCD compound ID : 1603
Chemical Names :
bicycloelemene , bicyclo Elemene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,2R,3R,6R)-2-isopropenyl-3,7,7-trimethyl-3-vinyl-norcarane , (1R,4R,5R,6R)-4-ethenyl-4,7,7-trimethyl-5-(1-methylethenyl)bicyclo[4.1.0]heptane , (1R,4R,5R,6R)-4-ethenyl-4,7,7-trimethyl-5-prop-1-en-2-ylbicyclo[4.1.0]heptane , (1R,4R,5R,6R)-4-ethenyl-4,7,7-trimethyl-5-prop-1-en-2-yl-bicyclo[4.1.0]heptane
Smiles: C=C[C@@]1(C)CC[C@@H]2[C@H]([C@@H]1C(=C)C)C2(C)C
InChi : InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m1/s1
InChi Key : InChIKey=LKQMMFFQYMYQOJ-COMQUAJESA-N
PubChem ID : 101973934
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.398868
Hydrogen bond donor count : 0 Electric dipole moment : 0.639
XLogP : 6.523 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.493000
Herb list :
Refrences & Litretures:
  
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
281.      Journal:'J. Bio. Env. Sci'      Year:'2016'      Volume:'8'      Page:'240'      DOI:''      Title:'Essential oil variation within and between Stachys inflata Benth. and Stachys lavandulifolia Vahl. populations from Iran'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. From Iran'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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