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ScientificNameLabel
Parthenolide
PHCD compound ID : 1027
Chemical Names :
Parthenolide
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms:
Smiles: CC1=CCC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2
InChi : InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
InChi Key : InChIKey=KTEXNACQROZXEV-SLXBATTESA-N
PubChem ID : 6473881
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.362573
Hydrogen bond donor count : 0 Electric dipole moment : 3.704
XLogP : 2.449 VDW volume : 249.388156
Molecular weight : 248.141245 HOMO-LUMO gap : 9.164000
Herb list :
Refrences & Litretures:
  
106.      Journal:'Current Science'      Year:'2005'      Volume:'89'      Page:'1489'      DOI:''      Title:'Secondary metabolites of Chrysanthemum genus and their biological activities'
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