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artemidin
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 :
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
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.
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