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ScientificNameLabel
Nerylacetone
PHCD compound ID : 625
Chemical Names :
Nerylacetone , Neryl-Acetone , Neryl acetone , cis-Geranyl acetone , (Z)-6,10-dimethyl-5,9-Undecadien-2-one , Neryle acetate
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: (5Z)-6,10-dimethylundeca-5,9-dien-2-one , (5Z)-6,10-dimethyl-2-undeca-5,9-dienone
Smiles: C/C(=C/CCC(=O)C)/CCC=C(C)C
InChi : InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-
InChi Key : InChIKey=HNZUNIKWNYHEJJ-XFXZXTDPSA-N
PubChem ID : 1713001
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.056579
Hydrogen bond donor count : 0 Electric dipole moment : 2.667
XLogP : 3.618 VDW volume : 234.285109
Molecular weight : 194.167065 HOMO-LUMO gap : 9.966000
Herb list :
Refrences & Litretures:
  
36.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'316'      DOI:'10.1080/0972060X.2010.10643827'      Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
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)'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
335.      Journal:'Phytother. Res'      Year:'2006'      Volume:'20'      Page:'85'      DOI:'10.1002/ptr.1815'      Title:'Composition and Antimicrobial Activity of Equisetum arvense L. Essential Oil'
548.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'360'      DOI:'10.1080/10412905.2007.9699305'      Title:'Essential Oil from the Flowers and Leaves of Cassia fstula L'
568.      Journal:'J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'312'      DOI:''      Title:'Essential Oils in the Leaves of Cocoa (Theobroma cacao L.) Clone UIT1 and NA33'
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'
621.      Journal:'Acta Chim. Slov'      Year:'2012'      Volume:'59'      Page:'803'      DOI:''      Title:'Comparison of Different Extraction Methods for the Determination of Essential oils and Related Compounds from Coriander (Coriandrum sativum L.)'
626.      Journal:'ISRN Pharmaceutics'      Year:'2012'      Volume:''      Page:'263517'      DOI:'10.5402/2012/263517'      Title:'Chemical Composition and Insecticidal Activity of Essential Oil from Coriandrum sativum Seeds against Tribolium confusum and Callosobruchus maculatus'
642.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'61'      DOI:'10.1080/0972060X.2005.10643422'      Title:'Essential Oil Composition of Echium amoenum Fisch. & C.A. Mey'
743.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'11'      DOI:''      Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
909.      Journal:'Adv Pharm Bull'      Year:'2016'      Volume:'6'      Page:'163'      DOI:'10.15171/apb.2016.023'      Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
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