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ScientificNameLabel
Flavan-3-ol
PHCD compound ID : 4423
Chemical Names :
Flavan-3-ol
Molecular Formula : C15H14O2
Molecular Weight : 226.09938
More Details :
Names & Synonyms: 2-phenylchroman-3-ol , 2-phenyl-3,4-dihydro-2H-1-benzopyran-3-ol , 2-phenyl-3,4-dihydro-2H-chromen-3-ol
Smiles: O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1
InChi : InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15-/m1/s1
InChi Key : InChIKey=OEIJRRGCTVHYTH-UKRRQHHQSA-N
PubChem ID : 3707243
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.044169
Hydrogen bond donor count : 1 Electric dipole moment : 1.544
XLogP : 1.591 VDW volume : 210.888553
Molecular weight : 226.09938 HOMO-LUMO gap : 9.112000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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