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ScientificNameLabel
5-cedranone
PHCD compound ID : 1279
Chemical Names :
5-cedranone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: O=C1C[C@]23C[C@@H]([C@H]1C)C([C@@H]3CC[C@H]2C)(C)C
InChi : InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13+,15-/m1/s1
InChi Key : InChIKey=CHPQWDBBFXQHQC-RXHHHXIQSA-N
PubChem ID : 6430324
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.682539
Hydrogen bond donor count : 0 Electric dipole moment : 3.290
XLogP : 4.854 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.792000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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