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ScientificNameLabel
isoelemicin
PHCD compound ID : 477
Chemical Names :
(E)-isoelemicin , trans-Isoelemicin , isoelemicin , iso-Elemicin , Isoelemicine
Molecular Formula : C12H16O3
Molecular Weight : 208.109944
More Details :
Names & Synonyms: 1,2,3-trimethoxy-5-[(E)-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-AATRIKPKSA-N
PubChem ID : 5318557
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.595552
Hydrogen bond donor count : 0 Electric dipole moment : 1.834
XLogP : 2.915 VDW volume : 208.676661
Molecular weight : 208.109944 HOMO-LUMO gap : 8.690000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
240.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'331'      DOI:'10.1080/0972060X.2010.10643830'      Title:'Essential Oil Composition of Artemisia dracunculus L. (Tarragon) Growing in Kashmir -India'
242.      Journal:'J Sci Food Agric'      Year:'2006'      Volume:'86'      Page:'2543'      DOI:''      Title:'Loss of essential oil of tarragon (Artemisia dracunculus L.) due to drying'
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'
685.      Journal:'Food Chemistry'      Year:'2006'      Volume:'99'      Page:'19'      DOI:'10.1016/j.foodchem.2005.07.026'      Title:'In?uence of drying and extraction methods on yield and chemical composition of the essential oil of Satureja hortensis'
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