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ScientificNameLabel
Balanophonin
PHCD compound ID : 1293
Chemical Names :
Balanophonin
Molecular Formula : C20H20O6
Molecular Weight : 356.125988
More Details :
Names & Synonyms: (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal , (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-2-propenal , (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal , (E)-3-[(2S,3R)-3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal , (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-coumaran-5-yl]acrolein
Smiles: O=C/C=C/c1cc2c(c(c1)OC)O[C@@H]([C@H]2CO)c1ccc(c(c1)OC)O
InChi : InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1
InChi Key : InChIKey=GWCSSLSMGCFIFR-LNFBDUAVSA-N
PubChem ID : 23252258
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.610146
Hydrogen bond donor count : 2 Electric dipole moment : 3.138
XLogP : 0.865 VDW volume : 327.256466
Molecular weight : 356.125988 HOMO-LUMO gap : 7.795000
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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