| Identification | Back Directory |  [Name]
  2-Desoxy-4-epi-pulchellin |  [CAS]
  122872-03-1 |  [Synonyms]
  2,6-Dideacetoxybritanin 2-Desoxy-4-epi-pulchellin |  [Molecular Formula]
  C15H22O3 |  [MDL Number]
  MFCD20260360 |  [MOL File]
  122872-03-1.mol |  [Molecular Weight]
  250.33 |  
 | Chemical Properties | Back Directory |  [Melting point ]
  135 °C |  [Boiling point ]
  408.2±45.0 °C(Predicted) |  [density ]
  1.14±0.1 g/cm3(Predicted) |  [solubility ]
  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |  [form ]
  Powder |  [pka]
  15.03±0.60(Predicted) |  [color ]
  White to off-white |  [InChI]
  InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1 |  [InChIKey]
  BOPADYWRUULRBD-MBICNOSFSA-N |  [SMILES]
  O1C(=O)C(=C)[C@@]2([H])C[C@@]3(C)[C@@]([H])(CC[C@@H]3O)[C@H](C)C[C@]12[H] |  
 | Hazard Information | Back Directory |  [Description]
  2-Desoxy-4-epi-pulchellin has potent in vitro cytotoxicities against the K562, MCF-7, Hela, DU145, U937, H1975, SGC-7901, A549, MOLT-4, and HL60 cell lines with IC50 values ranging from 0.10 to 46.7uM, while it shows significant antiviral (H1N1 and H3N2) activities, it also displays significant antimycobacterial activity (IC50=7.6 uM). |  [Uses]
  2-Desoxy-4-epi-pulchellin (compound 13) is a compound isolated from dichloromethane-soluble portion of Polygonum hydropiper[1]. |  [target]
  Antifection |  [References]
  [1] Xiao H, et al. Biological evaluation of phytoconstituents from Polygonum hydropiper. Nat Prod Res. 2017;31(17):2053-2057. DOI:10.1080/14786419.2016.1269094 |  
  
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