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ScientificNameLabel
Cubebinolide
PHCD compound ID : 4143
Chemical Names :
Cubebinolide
Molecular Formula : C20H18O6
Molecular Weight : 354.110338
More Details :
Names & Synonyms: (3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one , (3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-oxolanone , (3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one , (3S,4S)-3,4-dipiperonyltetrahydrofuran-2-one
Smiles: O=C1OC[C@H]([C@@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
InChi : InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m1/s1
InChi Key : InChIKey=DDWGQGZPYDSYEL-CABCVRRESA-N
PubChem ID : 11002708
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.847122
Hydrogen bond donor count : 0 Electric dipole moment : 4.664
XLogP : 2.011 VDW volume : 305.180007
Molecular weight : 354.110338 HOMO-LUMO gap : 8.745000
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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