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ScientificNameLabel
Alpha-Cyperone
PHCD compound ID : 3037
Chemical Names :
Alpha-Cyperone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (4aS,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one , (4aS,7R)-1,4a-dimethyl-7-(1-methylethenyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one , (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Smiles: CC(=C)[C@@H]1CC[C@@]2(C(=C(C)C(=O)CC2)C1)C
InChi : InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1
InChi Key : InChIKey=KUFXJZXMWHNCEH-DOMZBBRYSA-N
PubChem ID : 6452086
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.545322
Hydrogen bond donor count : 0 Electric dipole moment : 3.843
XLogP : 3.427 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.652000
Herb list :
Refrences & Litretures:
  
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
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