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ScientificNameLabel
Cleomiscosin B
PHCD compound ID : 1295
Chemical Names :
Cleomiscosin B
Molecular Formula : C20H18O8
Molecular Weight : 386.100168
More Details :
Names & Synonyms: (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2S,3S)-3-(hydroxymethyl)-5-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Smiles: OC[C@@H]1Oc2c(OC)cc3c(c2O[C@H]1c1ccc(c(c1)OC)O)oc(=O)cc3
InChi : InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1
InChi Key : InChIKey=XGADTAYOFHOFIW-RDJZCZTQSA-N
PubChem ID : 11982428
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.947085
Hydrogen bond donor count : 2 Electric dipole moment : 3.762
XLogP : 1.37 VDW volume : 332.48046
Molecular weight : 386.100168 HOMO-LUMO gap : 7.744000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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