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ScientificNameLabel
Copaene
PHCD compound ID : 4784
Chemical Names :
Copaene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC([C@@H]1CC[C@@]2([C@@H]3[C@H]1[C@H]2C(=C)CC3)C)C
InChi : InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15+/m0/s1
InChi Key : InChIKey=UPVZPMJSRSWJHQ-BTFPBAQTSA-N
PubChem ID : 87529
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.375854
Hydrogen bond donor count : 0 Electric dipole moment : 0.951
XLogP : 6.544 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.665000
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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