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ScientificNameLabel
Beta-acoradiene
PHCD compound ID : 446
Chemical Names :
Beta-acoradiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4S,5R)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene , (1R,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-8-ene , (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene , (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
Smiles: CC1=CC[C@]2(CC1)[C@H](C)CC[C@H]2C(=C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m1/s1
InChi Key : InChIKey=DVBSKQAFCDJNSL-ILXRZTDVSA-N
PubChem ID : 20055537
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.071804
Hydrogen bond donor count : 0 Electric dipole moment : 0.437
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.350000
Herb list :
Refrences & Litretures:
  
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
56.      Journal:'Journal of Reports in Pharmaceutical Sciences'      Year:'2013'      Volume:'2'      Page:'90'      DOI:''      Title:'Essential Oil Composition of Ferula Assa-Foetida L. Fruits from Western Iran'
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
754.      Journal:'Advanced Herbal Medicine'      Year:'2015'      Volume:'1'      Page:'21'      DOI:''      Title:'The essential oil composition of wild celery (Kelussia odoratissima Mozaff.): An Iranian endemic plant'
755.      Journal:'Experimental Parasitology'      Year:'2012'      Volume:'132'      Page:'470'      DOI:'org/10.1016/j.exppara.2012.09.010'      Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
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