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ScientificNameLabel
A-copaene
PHCD compound ID : 4762
Chemical Names :
A-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(=CC3)C)C)C
InChi : InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
InChi Key : InChIKey=VLXDPFLIRFYIME-BTFPBAQTSA-N
PubChem ID : 70678558
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.970381
Hydrogen bond donor count : 0 Electric dipole moment : 0.329
XLogP : 6.499 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.329000
Herb list :
Refrences & Litretures:
  
757.      Journal:'CLINICS'      Year:'2011'      Volume:'66'      Page:'843'      DOI:'10.1590/S1807-59322011000500022'      Title:'Chemical composition of the essential oil from Kelussia odoratissima Mozaff. and the evaluation of its sedative and anxiolytic effects in mice'
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