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ScientificNameLabel
(+)-(S,R)-epoxyartemidin
PHCD compound ID : 2003
Chemical Names :
(+)-(S,R)-epoxyartemidin
Molecular Formula : C13H12O3
Molecular Weight : 216.078644
More Details :
Names & Synonyms: 3-[(2R,3S)-3-ethyloxiran-2-yl]isochromen-1-one , 3-[(2R,3S)-3-ethyl-2-oxiranyl]-2-benzopyran-1-one , 3-[(2R,3S)-3-ethyloxiran-2-yl]isocoumarin
Smiles: CC[C@@H]1O[C@H]1c1cc2ccccc2c(=O)o1
InChi : InChI=1S/C13H12O3/c1-2-10-12(15-10)11-7-8-5-3-4-6-9(8)13(14)16-11/h3-7,10,12H,2H2,1H3/t10-,12+/m0/s1
InChi Key : InChIKey=VNEONZFLGNRQJT-CMPLNLGQSA-N
PubChem ID : 21580105
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.203194
Hydrogen bond donor count : 0 Electric dipole moment : 2.755
XLogP : 1.778 VDW volume : 198.623269
Molecular weight : 216.078644 HOMO-LUMO gap : 8.321000
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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