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ScientificNameLabel
5-Epoxyalantolactone
PHCD compound ID : 3047
Chemical Names :
5-Epoxyalantolactone , 4alpha,5alpha-Epoxyalantolactone , 5alpha-Epoxyalantolactone
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1=C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
InChi : InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1
InChi Key : InChIKey=YIQKVCDNUFDAHB-HKKVUVRFSA-N
PubChem ID : 474521
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.316230
Hydrogen bond donor count : 0 Electric dipole moment : 3.475
XLogP : 2.414 VDW volume : 239.668156
Molecular weight : 248.141245 HOMO-LUMO gap : 10.008000
Herb list :
Refrences & Litretures:
  
387.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2006'      Volume:'3'      Page:'371'      DOI:'10.1002/cbdv.200690041'      Title:'Chemical Constituents of Plants from the Genus Inula'
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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