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ScientificNameLabel
Humuladienone
PHCD compound ID : 1891
Chemical Names :
Humuladienone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (4E,8E)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one , (4E,8E)-2,6,6,9-tetramethyl-1-cycloundeca-4,8-dienone
Smiles: CC1=CCC(C)(C)C=CC[C@@H](C(=O)CC1)C
InChi : InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5+,12-9+/t13-/m0/s1
InChi Key : InChIKey=XWFINABYEHNSEP-HYZOUNLOSA-N
PubChem ID : 15000206
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.270210
Hydrogen bond donor count : 0 Electric dipole moment : 3.197
XLogP : 4.004 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.344000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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