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ScientificNameLabel
Isopulegone
PHCD compound ID : 898
Chemical Names :
Isopulegone , Iso-Pulegone , trans-5-Methyl-2-(1-methylethenyl)-cyclohexanone , 5-methyl-2-(1-methylethenyl)-Cyclohexanone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2-isopropenyl-5-methyl-cyclohexanone , 5-methyl-2-(1-methylethenyl)-1-cyclohexanone , 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one , 5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one
Smiles: C[C@H]1CC[C@@H](C(=O)C1)C(=C)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChi Key : InChIKey=RMIANEGNSBUGDJ-DTWKUNHWSA-N
PubChem ID : 34645
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.644120
Hydrogen bond donor count : 0 Electric dipole moment : 3.656
XLogP : 2.096 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.651000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
216.      Journal:'J. BioSci. Biotechnol'      Year:'2015'      Volume:'4'      Page:'117'      DOI:''      Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
217.      Journal:'Canadian Journal of Pure and Applied Sciences'      Year:'2013'      Volume:'7'      Page:'2541'      DOI:''      Title:'COMPARISON OF CHEMICAL COMPITION OF ESSENTIAL OIL OF MENTHA LONGIFOLIA L. FROM TWO REGIONS OF IRAN'
218.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'430'      DOI:'10.1080/10412905.2013.829005'      Title:'Chemical diversity in essential oil composition of Mentha longifolia (L.) Hudson subsp. typhoides (Briq.) Harley var. typhoides from Turkey'
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
227.      Journal:'World J Microbiol Biotechnol'      Year:'2009'      Volume:'25'      Page:'2227'      DOI:'10.1007/s11274-009-0130-3'      Title:'Biological activities of the essential oils and methanol extract of tow cultivated mint species (Mentha longifolia and Mentha pulegium) used in the Tunisian folkloric medicine'
228.      Journal:'Food Research International'      Year:'2012'      Volume:'45'      Page:'313'      DOI:'10.1016/j.foodres.2011.09.004'      Title:'Evaluation of the chemical composition and antimicrobial activity of Mentha pulegium, Juniperus phoenicea, and Cyperus longus essential oils from Morocco'
405.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'2004'      Volume:'19'      Page:'311'      DOI:'10.1002/ffj.1302'      Title:'Chemical composition of the essential oil of Cuminum cyminum L. from China'
571.      Journal:'International Journal of Agriculture and Forestry'      Year:'2014'      Volume:'4'      Page:'300'      DOI:'10.5923/j.ijaf.20140404.06'      Title:'Investigation of Vermicompost Fertilizer Effect on Chemical Composition of Essential Oil of Ziziphora tenuior in Weather Conditions of Kahnoojin Iran'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
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