Skip Navigation Links
ScientificNameLabel
Daucene
PHCD compound ID : 171
Chemical Names :
Daucene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 3-isopropyl-6,8a-dimethyl-2,4,5,8-tetrahydro-1H-azulene , 6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene
Smiles: CC1=CC[C@]2(C(=C(CC2)C(C)C)CC1)C
InChi : InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,11H,5-6,8-10H2,1-4H3/t15-/m1/s1
InChi Key : InChIKey=MGMBZNCFUFRSSP-OAHLLOKOSA-N
PubChem ID : 177773
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.702986
Hydrogen bond donor count : 0 Electric dipole moment : 0.433
XLogP : 5.145 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.105000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
79.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'310'      DOI:''      Title:'COMPOSITION OF ESSENTIAL OILS OF LEAVES, STEMS, AND ROOTS OF Thymus kotschyanus VAR. pseuderiophorus GROWING WILD IN IRAN'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. From Iran'
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us