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ScientificNameLabel
Diplophyllin
PHCD compound ID : 3043
Chemical Names :
Diplophyllin
Molecular Formula : C15H20O2
Molecular Weight : 232.14633
More Details :
Names & Synonyms: 5,8a-dimethyl-3-methylene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one , 5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Smiles: CC1=C2C[C@H]3[C@@H](C[C@@]2(CCC1)C)OC(=O)C3=C
InChi : InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15+/m1/s1
InChi Key : InChIKey=OTDVFDVEFZSECW-KYOSRNDESA-N
PubChem ID : 315677
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.197273
Hydrogen bond donor count : 0 Electric dipole moment : 5.308
XLogP : 2.891 VDW volume : 240.597929
Molecular weight : 232.14633 HOMO-LUMO gap : 9.115000
Herb list :
Refrences & Litretures:
  
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
388.      Journal:'Journal of Ethnopharmacology'      Year:'2014'      Volume:'154'      Page:'286'      DOI:'10.1016/j.jep.2014.04.010'      Title:'The genus Inula and theirmetabolites:Fromethnopharmacological tomedicinaluses'
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