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ScientificNameLabel
purpurin
PHCD compound ID : 2856
Chemical Names :
purpurin
Molecular Formula : C14H8O5
Molecular Weight : 256.037173
More Details :
Names & Synonyms: 1,2,4-trihydroxyanthracene-9,10-dione , 1,2,4-tris(oxidanyl)anthracene-9,10-dione , 1,2,4-trihydroxy-9,10-anthraquinone
Smiles: Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
InChi : InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChi Key : InChIKey=BBNQQADTFFCFGB-UHFFFAOYSA-N
PubChem ID : 6683
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.058849
Hydrogen bond donor count : 3 Electric dipole moment : 0.799
XLogP : 0.976 VDW volume : 214.690331
Molecular weight : 256.037173 HOMO-LUMO gap : 7.315000
Herb list :
Refrences & Litretures:
  
360.      Journal:'Int J Adv Biol Biom Res'      Year:'2013'      Volume:'1'      Page:'1315'      DOI:''      Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
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