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ScientificNameLabel
Karahanaenone
PHCD compound ID : 82
Chemical Names :
Karahanaenone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,2,5-trimethylcyclohept-4-en-1-one , 2,2,5-trimethyl-1-cyclohept-4-enone
Smiles: CC1=CCC(C(=O)CC1)(C)C
InChi : InChI=1S/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3
InChi Key : InChIKey=SKKTZNHVYFHGDC-UHFFFAOYSA-N
PubChem ID : 88268
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.453549
Hydrogen bond donor count : 0 Electric dipole moment : 2.873
XLogP : 1.529 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.498000
Herb list :
Refrences & Litretures:
  
4.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'850'      DOI:'10.1080/0972060X.2013.861993'      Title:'Chemical Composition of Peganum harmala Smoke and Volatile Oil'
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
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