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ScientificNameLabel
Diosmetin 7-beta-O-glucoside
PHCD compound ID : 1094
Chemical Names :
Diosmetin 7-beta-O-glucoside
Molecular Formula : C22H22O11
Molecular Weight : 462.116212
More Details :
Names & Synonyms: 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C22H22O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChi Key : InChIKey=WKUHPOMCLBLCOV-MIUGBVLSSA-N
PubChem ID : 11016019
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.128935
Hydrogen bond donor count : 6 Electric dipole moment : 9.036
XLogP : 0.072 VDW volume : 393.44311
Molecular weight : 462.116212 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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