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Disparlure
PHCD compound ID : 2989
Chemical Names :
Disparlure
Molecular Formula : C19H38O1
Molecular Weight : 282.292266
More Details :
Names & Synonyms: (2R,3S)-2-decyl-3-(5-methylhexyl)oxirane
Smiles: CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C
InChi : InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1
InChi Key : InChIKey=HFOFYNMWYRXIBP-MOPGFXCFSA-N
PubChem ID : 62850
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.242849
Hydrogen bond donor count : 0 Electric dipole moment : 2.236
XLogP : 8.782 VDW volume : 333.613935
Molecular weight : 282.292266 HOMO-LUMO gap : 12.636000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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