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ScientificNameLabel
Isoplatydesmine
PHCD compound ID : 3144
Chemical Names :
Isoplatydesmine
Molecular Formula : C15H17N1O3
Molecular Weight : 259.120843
More Details :
Names & Synonyms: 2-(1-hydroxy-1-methyl-ethyl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one , 2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one , 9-methyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydrofuro[2,3-b]quinolin-4-one
Smiles: Cn1c2O[C@@H](Cc2c(=O)c2c1cccc2)C(O)(C)C
InChi : InChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3/t12-/m0/s1
InChi Key : InChIKey=VLHROMVHVKMNLA-LBPRGKRZSA-N
PubChem ID : 11219133
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.281659
Hydrogen bond donor count : 1 Electric dipole moment : 6.914
XLogP : 1.754 VDW volume : 244.211999
Molecular weight : 259.120843 HOMO-LUMO gap : 8.127000
Herb list :
Refrences & Litretures:
  
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'
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