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ScientificNameLabel
Arborinine
PHCD compound ID : 3138
Chemical Names :
Arborinine
Molecular Formula : C16H15N1O4
Molecular Weight : 285.100108
More Details :
Names & Synonyms: 1-hydroxy-2,3-dimethoxy-10-methyl-acridin-9-one , 1-hydroxy-2,3-dimethoxy-10-methyl-9-acridinone , 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one , 2,3-dimethoxy-10-methyl-1-oxidanyl-acridin-9-one
Smiles: COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1
InChi : InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChi Key : InChIKey=ATBZZQPALSPNMF-UHFFFAOYSA-N
PubChem ID : 5281832
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.370892
Hydrogen bond donor count : 1 Electric dipole moment : 4.631
XLogP : 2.133 VDW volume : 254.125293
Molecular weight : 285.100108 HOMO-LUMO gap : 7.711000
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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