Skip Navigation Links
ScientificNameLabel
Punicacortein B
PHCD compound ID : 4439
Chemical Names :
Punicacortein B
Molecular Formula : C27H22O18
Molecular Weight : 634.080614
More Details :
Names & Synonyms:
Smiles: O[C@@H]([C@H]([C@@H]1OC(=O)c2cc(O)c(c(c2c2c3C(=O)O[C@H]1[C@@H](O)c3c(O)c(c2O)O)O)O)O)COC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C27H22O18/c28-7-1-5(2-8(29)15(7)32)25(40)43-4-10(31)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(30)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2/t10-,17-,21+,23+,24+/m1/s1
InChi Key : InChIKey=JYPJJOONMBTTAR-MEZSAOBOSA-N
PubChem ID : 20056239
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 18 Ionization potential : 9.246745
Hydrogen bond donor count : 12 Electric dipole moment : 0.825
XLogP : 0.956 VDW volume : 507.652326
Molecular weight : 634.080614 HOMO-LUMO gap : 7.891000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us