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ScientificNameLabel
Tumerone
PHCD compound ID : 5236
Chemical Names :
Tumerone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-en-4-one , 2-methyl-6-(4-methyl-1-cyclohexa-1,3-dienyl)-2-hepten-4-one
Smiles: CC(=CC(=O)C[C@H](C1=CC=C(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/h5,7,9,13H,6,8,10H2,1-4H3/t13-/m1/s1
InChi Key : InChIKey=ZMIQNSSHYBJKIL-CYBMUJFWSA-N
PubChem ID : 558173
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.536421
Hydrogen bond donor count : 0 Electric dipole moment : 4.180
XLogP : 3.381 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 8.982000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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