Skip Navigation Links
ScientificNameLabel
Estriol
PHCD compound ID : 4456
Chemical Names :
Estriol
Molecular Formula : C18H24O3
Molecular Weight : 288.172545
More Details :
Names & Synonyms: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C
InChi : InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChi Key : InChIKey=PROQIPRRNZUXQM-ZXXIGWHRSA-N
PubChem ID : 5756
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.889602
Hydrogen bond donor count : 3 Electric dipole moment : 1.591
XLogP : 2.871 VDW volume : 278.019651
Molecular weight : 288.172545 HOMO-LUMO gap : 9.038000
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