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ScientificNameLabel
6-Malonyl-arbutine
PHCD compound ID : 1093
Chemical Names :
6-Malonyl-arbutine
Molecular Formula : C15H18O10
Molecular Weight : 358.089997
More Details :
Names & Synonyms:
Smiles: OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C15H18O10/c16-7-1-3-8(4-2-7)24-15-14(22)13(21)12(20)9(25-15)6-23-11(19)5-10(17)18/h1-4,9,12-16,20-22H,5-6H2,(H,17,18)/t9-,12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=KCNDLWCFVGYFLY-SWMGHYKJSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 9.258787
Hydrogen bond donor count : 5 Electric dipole moment : 3.694
XLogP : -0.56 VDW volume : 307.103284
Molecular weight : 358.089997 HOMO-LUMO gap : 8.978000
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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