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Phyllanthusiin E
PHCD compound ID : 5573
Chemical Names :
Phyllanthusiin E
Molecular Formula : C13H8O8
Molecular Weight : 292.021917
More Details :
Names & Synonyms: 2-(11,12-dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetic acid , 2-(11,12-dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetic acid , 2-[11,12-bis(oxidanyl)-3,8-bis(oxidanylidene)-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl]ethanoic acid , 2-(11,12-dihydroxy-3,8-diketo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetic acid
Smiles: OC(=O)Cc1c(=O)oc2c3c1COC(=O)c3cc(c2O)O
InChi : InChI=1S/C13H8O8/c14-7-1-5-9-6(3-20-12(5)18)4(2-8(15)16)13(19)21-11(9)10(7)17/h1,14,17H,2-3H2,(H,15,16)
InChi Key : InChIKey=DBBOJUGDRHJPND-UHFFFAOYSA-N
PubChem ID : 15742123
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.622366
Hydrogen bond donor count : 3 Electric dipole moment : 3.043
XLogP : -0.043 VDW volume : 237.301485
Molecular weight : 292.021917 HOMO-LUMO gap : 7.730000
Herb list :
Refrences & Litretures:
  
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
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