Skip Navigation Links
ScientificNameLabel
Megastigma-4,6(E),8(E)-triene
PHCD compound ID : 2971
Chemical Names :
Megastigma-4,6(E),8(E)-triene
Molecular Formula : C13H20
Molecular Weight : 176.156501
More Details :
Names & Synonyms: (6Z)-6-[(E)-but-2-enylidene]-1,5,5-trimethyl-cyclohexene , (6Z)-6-[(E)-but-2-enylidene]-1,5,5-trimethylcyclohexene
Smiles: C/C=C/C=C/1\C(=CCCC1(C)C)C
InChi : InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9+
InChi Key : InChIKey=BYDQKMZEOZVIJM-HFACTSAFSA-N
PubChem ID : 5369483
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.567334
Hydrogen bond donor count : 0 Electric dipole moment : 0.221
XLogP : 5.417 VDW volume : 213.138424
Molecular weight : 176.156501 HOMO-LUMO gap : 8.920000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us