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ScientificNameLabel
Herniarin
PHCD compound ID : 2001
Chemical Names :
herniarine , 7-methoxy coumarin , 7-methoxycoumarin , Herniarin
Molecular Formula : C10H8O3
Molecular Weight : 176.047344
More Details :
Names & Synonyms: 7-methoxychromen-2-one , 7-methoxy-1-benzopyran-2-one , 7-methoxycoumarin
Smiles: COc1ccc2c(c1)oc(=O)cc2
InChi : InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChi Key : InChIKey=LIIALPBMIOVAHH-UHFFFAOYSA-N
PubChem ID : 10748
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.192423
Hydrogen bond donor count : 0 Electric dipole moment : 3.994
XLogP : 1.051 VDW volume : 159.091774
Molecular weight : 176.047344 HOMO-LUMO gap : 8.193000
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'
429.      Journal:'Planta Med'      Year:'2009'      Volume:'75'      Page:'195'      DOI:'10.1055/s-0028-1088397'      Title:'In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens'
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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