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Compound: 5546
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(-)epiafzelechin
ScientificNameLabel
(-)epiafzelechin
PHCD compound ID :
4007
Chemical Names :
(-)epiafzelechin
Molecular Formula :
C15H14O5
Molecular Weight :
274.084124
More Details :
Names & Synonyms:
(2R,3R)-2-(4-hydroxyphenyl)chromane-3,5,7-triol , (2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol , (2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol , (2R,3R)-2-(4-hydroxyphenyl)chroman-3,5,7-triol
Smiles:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C[C@H]1O)O
InChi :
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
InChi Key :
InChIKey=RSYUFYQTACJFML-UKRRQHHQSA-N
PubChem ID :
443639
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
8.897579
Hydrogen bond donor count :
4
Electric dipole moment :
1.737
XLogP :
0.504
VDW volume :
237.259233
Molecular weight :
274.084124
HOMO-LUMO gap :
8.637000
Herb list :
Purging cassia, Drumstick tree - Cassia fistula - فلوس
Refrences & Litretures:
549. Journal:'African Journal of Biotechnology' Year:'2005' Volume:'4' Page:'1530' DOI:'' Title:'Phytochemical constituents of Cassia fistula'
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