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ScientificNameLabel
Zerumbone
PHCD compound ID : 4488
Chemical Names :
Zerumbone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one , (2E,6E,10E)-2,6,9,9-tetramethyl-1-cycloundeca-2,6,10-trienone
Smiles: CC1=CCC(C)(C)C=CC(=O)C(=CCC1)C
InChi : InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+
InChi Key : InChIKey=GIHNTRQPEMKFKO-SKTNYSRSSA-N
PubChem ID : 5470187
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.476055
Hydrogen bond donor count : 0 Electric dipole moment : 4.244
XLogP : 4.143 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.608000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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