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ScientificNameLabel
Megastigmatrienone
PHCD compound ID : 1162
Chemical Names :
Megastigmatrienone , Megastigma-4,6,8-trien-3-one
Molecular Formula : C13H18O1
Molecular Weight : 190.135765
More Details :
Names & Synonyms: (4Z)-4-[(E)-but-2-enylidene]-3,5,5-trimethyl-cyclohex-2-en-1-one , (4Z)-4-[(E)-but-2-enylidene]-3,5,5-trimethyl-1-cyclohex-2-enone , (4Z)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Smiles: C/C=C/C=C/1\C(=CC(=O)CC1(C)C)C
InChi : InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7+
InChi Key : InChIKey=CBQXHTWJSZXYSK-DVIJZSFDSA-N
PubChem ID : 6437599
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.467769
Hydrogen bond donor count : 0 Electric dipole moment : 4.703
XLogP : 3.325 VDW volume : 219.292192
Molecular weight : 190.135765 HOMO-LUMO gap : 9.138000
Herb list :
Refrences & Litretures:
  
119.      Journal:'World Appl. Sci. J'      Year:'2011'      Volume:'17'      Page:'67'      DOI:''      Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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