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ScientificNameLabel
(E)-alpha-Atlantone
PHCD compound ID : 355
Chemical Names :
(E)-alpha-Atlantone , Trans-alpha-Atlantone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one , (5E)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-4-hepta-2,5-dienone
Smiles: CC(=CC(=O)/C=C(/[C@H]1CCC(=CC1)C)\C)C
InChi : InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10+/t14-/m1/s1
InChi Key : InChIKey=OJEFBZMKKJTKKK-JWAFFJSPSA-N
PubChem ID : 6365122
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.281696
Hydrogen bond donor count : 0 Electric dipole moment : 1.865
XLogP : 3.779 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.301000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
374.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'589'      DOI:'10.1080/10412905.1997.9700783'      Title:'Essential Oils of Curcuma longa L. from Bhutan'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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