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ScientificNameLabel
8-hydroxyartemidin
PHCD compound ID : 2019
Chemical Names :
8-hydroxyartemidin
Molecular Formula : C13H12O3
Molecular Weight : 216.078644
More Details :
Names & Synonyms: 3-[(E)-but-1-enyl]-8-hydroxy-isochromen-1-one , 3-[(E)-but-1-enyl]-8-hydroxy-2-benzopyran-1-one , 3-[(E)-but-1-enyl]-8-hydroxyisochromen-1-one , 3-[(E)-but-1-enyl]-8-oxidanyl-isochromen-1-one , 3-[(E)-but-1-enyl]-8-hydroxy-isocoumarin
Smiles: CC/C=C/c1cc2cccc(c2c(=O)o1)O
InChi : InChI=1S/C13H12O3/c1-2-3-6-10-8-9-5-4-7-11(14)12(9)13(15)16-10/h3-8,14H,2H2,1H3/b6-3+
InChi Key : InChIKey=KIVJBPPONQCANS-ZZXKWVIFSA-N
PubChem ID : 44575586
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.865539
Hydrogen bond donor count : 1 Electric dipole moment : 4.191
XLogP : 2.362 VDW volume : 208.343269
Molecular weight : 216.078644 HOMO-LUMO gap : 7.851000
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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