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ScientificNameLabel
Laxanthone II
PHCD compound ID : 2493
Chemical Names :
Laxanthone II
Molecular Formula : C18H14O8
Molecular Weight : 358.068867
More Details :
Names & Synonyms: (6-acetoxy-1-hydroxy-7-methoxy-9-oxo-xanthen-3-yl) acetate , acetic acid (6-acetyloxy-1-hydroxy-7-methoxy-9-oxo-3-xanthenyl) ester , (6-acetyloxy-1-hydroxy-7-methoxy-9-oxoxanthen-3-yl) acetate , (6-acetyloxy-7-methoxy-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) ethanoate , acetic acid (6-acetoxy-1-hydroxy-9-keto-7-methoxy-xanthen-3-yl) ester
Smiles: COc1cc2c(cc1OC(=O)C)oc1c(c2=O)c(O)cc(c1)OC(=O)C
InChi : InChI=1S/C18H14O8/c1-8(19)24-10-4-12(21)17-16(5-10)26-13-7-15(25-9(2)20)14(23-3)6-11(13)18(17)22/h4-7,21H,1-3H3
InChi Key : InChIKey=RAWBNUCTHOCPPS-UHFFFAOYSA-N
PubChem ID : 69866098
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.172037
Hydrogen bond donor count : 1 Electric dipole moment : 4.785
XLogP : 1.488 VDW volume : 307.608491
Molecular weight : 358.068867 HOMO-LUMO gap : 8.176000
Herb list :
Refrences & Litretures:
  
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
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