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ScientificNameLabel
artemidin
PHCD compound ID : 2013
Chemical Names :
artemidin
Molecular Formula : C13H12O2
Molecular Weight : 200.08373
More Details :
Names & Synonyms: 3-[(E)-but-1-enyl]isochromen-1-one , 3-[(E)-but-1-enyl]-2-benzopyran-1-one , 3-[(E)-but-1-enyl]isocoumarin
Smiles: CC/C=C/c1cc2ccccc2c(=O)o1
InChi : InChI=1S/C13H12O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h3-9H,2H2,1H3/b7-3+
InChi Key : InChIKey=DHKBMMCQVXFEJY-XVNBXDOJSA-N
PubChem ID : 5945155
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.837200
Hydrogen bond donor count : 0 Electric dipole moment : 3.250
XLogP : 2.865 VDW volume : 199.553043
Molecular weight : 200.08373 HOMO-LUMO gap : 7.988000
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'
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