Skip Navigation Links
ScientificNameLabel
Punicic acid
PHCD compound ID : 4402
Chemical Names :
Punicic acid
Molecular Formula : C18H30O2
Molecular Weight : 278.22458
More Details :
Names & Synonyms: (9Z,11E,13Z)-octadeca-9,11,13-trienoic acid
Smiles: CCCC/C=C\C=C\C=C/CCCCCCCC(=O)O
InChi : InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-
InChi Key : InChIKey=CUXYLFPMQMFGPL-BGDVVUGTSA-N
PubChem ID : 5281126
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 8.667352
Hydrogen bond donor count : 1 Electric dipole moment : 1.970
XLogP : 7.304 VDW volume : 326.918801
Molecular weight : 278.22458 HOMO-LUMO gap : 8.484000
Herb list :
Refrences & Litretures:
  
655.      Journal:'BioMed Research International'      Year:'2014'      Volume:''      Page:'686921'      DOI:'10.1155/2014/686921'      Title:'Pomegranate Fruit as a Rich Source of Biologically Active Compounds'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us