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ScientificNameLabel
Z-isoelemicin
PHCD compound ID : 440
Chemical Names :
Z-isoelemicin , (Z)-isoelemicin , (Z)-Isoelemicine
Molecular Formula : C12H16O3
Molecular Weight : 208.109944
More Details :
Names & Synonyms: 1,2,3-trimethoxy-5-[(Z)-prop-1-enyl]benzene
Smiles: C/C=C\c1cc(OC)c(c(c1)OC)OC
InChi : InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5-
InChi Key : InChIKey=RRXOQHQFJOQLQR-WAYWQWQTSA-N
PubChem ID : 5851118
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.700983
Hydrogen bond donor count : 0 Electric dipole moment : 2.976
XLogP : 2.915 VDW volume : 208.676661
Molecular weight : 208.109944 HOMO-LUMO gap : 8.995000
Herb list :
Refrences & Litretures:
  
27.      Journal:'ournal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'32'      DOI:''      Title:'Essential oil Composition and in vitro Antibacterial Activity of Rhizome Essential Oil and ?-Asarone from Acorus calamus L. Collected from Lower Himalayan Region of Utarakhand'
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
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