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ScientificNameLabel
Bergamotene
PHCD compound ID : 3846
Chemical Names :
Bicyclo[3.1.1]heptane,6-methyl-2-methylene-6-(4-methyl-3-pentenyl) , Bergamotene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 6-methyl-2-methylene-6-(4-methylpent-3-enyl)norpinane , 6-methyl-4-methylene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane , 6-methyl-4-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
Smiles: CC(=CCC[C@@]1(C)[C@@H]2CCC(=C)[C@H]1C2)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m1/s1
InChi Key : InChIKey=DGZBGCMPRYFWFF-KFWWJZLASA-N
PubChem ID : 521569
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.192637
Hydrogen bond donor count : 0 Electric dipole moment : 0.735
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.444000
Herb list :
Refrences & Litretures:
  
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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