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ScientificNameLabel
Diosmetin
PHCD compound ID : 1100
Chemical Names :
Diosmetin
Molecular Formula : C16H12O6
Molecular Weight : 300.063388
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one , 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one , 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one , 2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone
Smiles: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O
InChi : InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChi Key : InChIKey=MBNGWHIJMBWFHU-UHFFFAOYSA-N
PubChem ID : 5281612
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.166857
Hydrogen bond donor count : 3 Electric dipole moment : 5.351
XLogP : 1.378 VDW volume : 258.072527
Molecular weight : 300.063388 HOMO-LUMO gap : 8.112000
Herb list :
Refrences & Litretures:
  
112.      Journal:'Journal of Ethnopharmacology'      Year:'2012'      Volume:'141'      Page:'908'      DOI:'10.1016/j.jep.2012.03.028'      Title:'Neuropharmacological study of Dracocephalum moldavica L. (Lamiaceae) in mice: Sedative effect and chemical analysis of an aqueous extract'
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