Skip Navigation Links
ScientificNameLabel
pellitorine
PHCD compound ID : 2021
Chemical Names :
pellitorine
Molecular Formula : C14H25N1O1
Molecular Weight : 223.193614
More Details :
Names & Synonyms: (2E,4E)-N-isobutyldeca-2,4-dienamide , (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Smiles: CCCCC/C=C/C=C/C(=O)NCC(C)C
InChi : InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
InChi Key : InChIKey=MAGQQZHFHJDIRE-BNFZFUHLSA-N
PubChem ID : 5318516
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.277128
Hydrogen bond donor count : 1 Electric dipole moment : 3.365
XLogP : 4.469 VDW volume : 262.577854
Molecular weight : 223.193614 HOMO-LUMO gap : 8.910000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us