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ScientificNameLabel
daphnetin 7-methyl ether
PHCD compound ID : 2010
Chemical Names :
daphnetin 7-methyl ether
Molecular Formula : C10H8O4
Molecular Weight : 192.042259
More Details :
Names & Synonyms: 8-hydroxy-7-methoxy-chromen-2-one , 8-hydroxy-7-methoxy-1-benzopyran-2-one , 8-hydroxy-7-methoxychromen-2-one , 7-methoxy-8-oxidanyl-chromen-2-one , 8-hydroxy-7-methoxy-coumarin
Smiles: COc1ccc2c(c1O)oc(=O)cc2
InChi : InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
InChi Key : InChIKey=KIGCGZUAVODHMD-UHFFFAOYSA-N
PubChem ID : 146487
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.868311
Hydrogen bond donor count : 1 Electric dipole moment : 5.597
XLogP : 0.97 VDW volume : 167.882001
Molecular weight : 192.042259 HOMO-LUMO gap : 7.744000
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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