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ScientificNameLabel
allyl-ionone
PHCD compound ID : 516
Chemical Names :
allyl-ionone
Molecular Formula : C16H24O1
Molecular Weight : 232.182715
More Details :
Names & Synonyms: (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one , (1E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-hepta-1,6-dienone
Smiles: C=CCCC(=O)/C=C/[C@@H]1C(=CCCC1(C)C)C
InChi : InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+/t15-/m1/s1
InChi Key : InChIKey=FXCYGAGBPZQRJE-AUECHBEKSA-N
PubChem ID : 5365976
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.431583
Hydrogen bond donor count : 0 Electric dipole moment : 3.231
XLogP : 5.128 VDW volume : 271.180146
Molecular weight : 232.182715 HOMO-LUMO gap : 9.427000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
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