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ScientificNameLabel
Punicalin
PHCD compound ID : 4394
Chemical Names :
Punicalin
Molecular Formula : C34H22O22
Molecular Weight : 782.060272
More Details :
Names & Synonyms:
Smiles: O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)O[C@H]2[C@@H]([C@H]1O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)O)O)O
InChi : InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/m1/s1
InChi Key : InChIKey=IQHIEHIKNWLKFB-ITTSEVFZSA-N
PubChem ID : 5464368
Rotatable bond count : 0 Rule of five : 2
Hydrogen bond acceptor count : 22 Ionization potential : 9.140762
Hydrogen bond donor count : 13 Electric dipole moment : 5.290
XLogP : 1.887 VDW volume : 605.369915
Molecular weight : 782.060272 HOMO-LUMO gap : 7.195000
Herb list :
Refrences & Litretures:
  
655.      Journal:'BioMed Research International'      Year:'2014'      Volume:''      Page:'686921'      DOI:'10.1155/2014/686921'      Title:'Pomegranate Fruit as a Rich Source of Biologically Active Compounds'
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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