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ScientificNameLabel
scoparone
PHCD compound ID : 2009
Chemical Names :
scoparone , 6,7-dimethoxycoumarin
Molecular Formula : C11H10O4
Molecular Weight : 206.057909
More Details :
Names & Synonyms: 6,7-dimethoxychromen-2-one , 6,7-dimethoxy-1-benzopyran-2-one , scoparone
Smiles: COc1cc2oc(=O)ccc2cc1OC
InChi : InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChi Key : InChIKey=GUAFOGOEJLSQBT-UHFFFAOYSA-N
PubChem ID : 8417
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.735747
Hydrogen bond donor count : 0 Electric dipole moment : 7.430
XLogP : 1.291 VDW volume : 185.177985
Molecular weight : 206.057909 HOMO-LUMO gap : 7.708000
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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