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ScientificNameLabel
Laxanthone III
PHCD compound ID : 2494
Chemical Names :
Laxanthone III
Molecular Formula : C17H14O7
Molecular Weight : 330.073953
More Details :
Names & Synonyms: (8-hydroxy-2,6-dimethoxy-9-oxo-xanthen-3-yl) acetate , acetic acid (8-hydroxy-2,6-dimethoxy-9-oxo-3-xanthenyl) ester , (8-hydroxy-2,6-dimethoxy-9-oxoxanthen-3-yl) acetate , (2,6-dimethoxy-8-oxidanyl-9-oxidanylidene-xanthen-3-yl) ethanoate , acetic acid (8-hydroxy-9-keto-2,6-dimethoxy-xanthen-3-yl) ester
Smiles: COc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)OC(=O)C)OC
InChi : InChI=1S/C17H14O7/c1-8(18)23-14-7-12-10(6-13(14)22-3)17(20)16-11(19)4-9(21-2)5-15(16)24-12/h4-7,19H,1-3H3
InChi Key : InChIKey=PLYMOHQSBQHXTR-UHFFFAOYSA-N
PubChem ID : 69864507
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.197507
Hydrogen bond donor count : 1 Electric dipole moment : 6.594
XLogP : 1.618 VDW volume : 284.158739
Molecular weight : 330.073953 HOMO-LUMO gap : 8.250000
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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