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ScientificNameLabel
Humulene
PHCD compound ID : 4785
Chemical Names :
Humulene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1E,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Smiles: CC1=CCC(C)(C)C=CCC(=CCC1)C
InChi : InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10-
InChi Key : InChIKey=FAMPSKZZVDUYOS-VHAXJKOXSA-N
PubChem ID : 6187145
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.977616
Hydrogen bond donor count : 0 Electric dipole moment : 0.589
XLogP : 5.94 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.133000
Herb list :
Refrences & Litretures:
  
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'
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