Skip Navigation Links
ScientificNameLabel
Punicacortein D
PHCD compound ID : 4441
Chemical Names :
Punicacortein D
Molecular Formula : C48H28O30
Molecular Weight : 1084.066539
More Details :
Names & Synonyms:
Smiles: O[C@H]1COC(=O)c2cc(O)c(c(c2c2c(O)c(O)c3c4c2c(=O)oc2c(c(c(c5c(C(=O)O[C@H]1[C@@H]1OC(=O)c6cc(O)c(c(c6c6c7C(=O)O[C@@H]1[C@@H](O)c7c(O)c(c6O)O)O)O)cc(O)c(c5O)O)c(c(=O)o3)c42)O)O)O)O
InChi : InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34-,38+,41+,42-/m0/s1
InChi Key : InChIKey=FESAEKUFXJFTFG-GKHKWPQVSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 2
Hydrogen bond acceptor count : 30 Ionization potential : 8.822157
Hydrogen bond donor count : 18 Electric dipole moment : 3.828
XLogP : 3.614 VDW volume : 837.874467
Molecular weight : 1084.066539 HOMO-LUMO gap : 7.411000
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