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ScientificNameLabel
Foeniculin
PHCD compound ID : 5093
Chemical Names :
Foeniculin
Molecular Formula : C14H18O1
Molecular Weight : 202.135765
More Details :
Names & Synonyms: 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene , 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
Smiles: C/C=C/c1ccc(cc1)OCC=C(C)C
InChi : InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4+
InChi Key : InChIKey=JGELFJUQMIUNOO-SNAWJCMRSA-N
PubChem ID : 5316879
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.480827
Hydrogen bond donor count : 0 Electric dipole moment : 1.877
XLogP : 3.847 VDW volume : 223.051718
Molecular weight : 202.135765 HOMO-LUMO gap : 8.735000
Herb list :
Refrences & Litretures:
  
796.      Journal:'Journal of Food Science'      Year:'2005'      Volume:'70'      Page:'M208'      DOI:'10.1111/j.1365-2621.2005.tb07190.x'      Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
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