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ScientificNameLabel
S-Ribalinine
PHCD compound ID : 3143
Chemical Names :
S-Ribalinine
Molecular Formula : C15H17N1O3
Molecular Weight : 259.120843
More Details :
Names & Synonyms: (3S)-3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one , (3S)-2,2,10-trimethyl-3-oxidanyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
Smiles: Cn1c2OC(C)(C)[C@H](Cc2c(=O)c2c1cccc2)O
InChi : InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1
InChi Key : InChIKey=HUPKGVIVTBASQC-LBPRGKRZSA-N
PubChem ID : 932818
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.306293
Hydrogen bond donor count : 1 Electric dipole moment : 7.088
XLogP : 1.754 VDW volume : 244.211999
Molecular weight : 259.120843 HOMO-LUMO gap : 8.126000
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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