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ScientificNameLabel
3'methoxyacacetin 7-O-beta-D-glucuronide
PHCD compound ID : 1096
Chemical Names :
3'methoxyacacetin 7-O-beta-D-glucuronide
Molecular Formula : C23H24O11
Molecular Weight : 476.131862
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H24O11/c1-30-14-4-3-10(5-16(14)31-2)15-8-13(26)19-12(25)6-11(7-17(19)33-15)32-23-22(29)21(28)20(27)18(9-24)34-23/h3-8,18,20-25,27-29H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChi Key : InChIKey=URUMYDGZBWVMMP-DODNOZFWSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 11 Ionization potential : 8.802102
Hydrogen bond donor count : 5 Electric dipole moment : 8.361
XLogP : 0.393 VDW volume : 410.739094
Molecular weight : 476.131862 HOMO-LUMO gap : 7.885000
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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