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ScientificNameLabel
O-ethylcubebin
PHCD compound ID : 4144
Chemical Names :
O-ethylcubebin
Molecular Formula : C22H24O6
Molecular Weight : 384.157288
More Details :
Names & Synonyms:
Smiles: CCO[C@H]1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
InChi : InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3/t16-,17+,22-/m0/s1
InChi Key : InChIKey=DPOGOONVHHNDDP-JKSBSHDWSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.743216
Hydrogen bond donor count : 0 Electric dipole moment : 0.419
XLogP : 2.729 VDW volume : 342.408435
Molecular weight : 384.157288 HOMO-LUMO gap : 8.656000
Herb list :
Refrences & Litretures:
  
578.      Journal:'Parasitol Res'      Year:'2012'      Volume:'110'      Page:'1747'      DOI:'10.1007/s00436-011-2695-7'      Title:'In vitro efficacy of the essential oil of Piper cubeba L. (Piperaceae) against Schistosoma mansoni'
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