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ScientificNameLabel
artemidiol
PHCD compound ID : 2011
Chemical Names :
artemidiol
Molecular Formula : C13H14O4
Molecular Weight : 234.089209
More Details :
Names & Synonyms: 3-(1,2-dihydroxybutyl)isochromen-1-one , 3-(1,2-dihydroxybutyl)-2-benzopyran-1-one , 3-[1,2-bis(oxidanyl)butyl]isochromen-1-one , 3-(1,2-dihydroxybutyl)isocoumarin
Smiles: CC[C@H]([C@H](c1cc2ccccc2c(=O)o1)O)O
InChi : InChI=1S/C13H14O4/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,14-15H,2H2,1H3/t10-,12-/m1/s1
InChi Key : InChIKey=CRXSSRPVDGICML-ZYHUDNBSSA-N
PubChem ID : 23246261
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.374029
Hydrogen bond donor count : 2 Electric dipole moment : 4.839
XLogP : 0.76 VDW volume : 219.769955
Molecular weight : 234.089209 HOMO-LUMO gap : 8.381000
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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