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ScientificNameLabel
pseudalhagin A
PHCD compound ID : 2061
Chemical Names :
pseudalhagin A
Molecular Formula : C26H22O9
Molecular Weight : 478.126382
More Details :
Names & Synonyms: (3S)-3-[(S)-hydroxy-(4-hydroxy-3-methoxy-phenyl)methyl]-8-(3-hydroxy-4-methoxy-phenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one , (3S)-3-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-8-(3-hydroxy-4-methoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one , (3S)-8-(4-methoxy-3-oxidanyl-phenyl)-3-[(S)-(3-methoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
Smiles: COc1ccc(cc1O)c1coc2c(c1=O)ccc1c2OC[C@H](O1)[C@H](c1ccc(c(c1)OC)O)O
InChi : InChI=1S/C26H22O9/c1-31-19-7-4-13(9-18(19)28)16-11-33-25-15(24(16)30)5-8-20-26(25)34-12-22(35-20)23(29)14-3-6-17(27)21(10-14)32-2/h3-11,22-23,27-29H,12H2,1-2H3/t22-,23-/m0/s1
InChi Key : InChIKey=UZVQMPWIPYSGNW-GOTSBHOMSA-N
PubChem ID : 46898890
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.373875
Hydrogen bond donor count : 3 Electric dipole moment : 4.572
XLogP : 1.764 VDW volume : 413.88076
Molecular weight : 478.126382 HOMO-LUMO gap : 7.666000
Herb list :
Refrences & Litretures:
  
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
294.      Journal:'International Journal of Herbal Medicine'      Year:'2014'      Volume:'2'      Page:'47'      DOI:''      Title:'Alhagi pseudalhagi: a review of its phyto-chemistry, pharmacology, folklore claims and Ayurvedic studies'
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