Skip Navigation Links
ScientificNameLabel
N-methylstylopine
PHCD compound ID : 3406
Chemical Names :
N-methylstylopine
Molecular Formula : C20H20N1O4
Molecular Weight : 338.139233
More Details :
Names & Synonyms:
Smiles: C[N@+]12CCc3c([C@@H]2Cc2c(C1)c1OCOc1cc2)cc1c(c3)OCO1
InChi : InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1
InChi Key : InChIKey=GBUUKFRQPCPYPW-KKSFZXQISA-N
PubChem ID : 5460426
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 11.710802
Hydrogen bond donor count : 0 Electric dipole moment : 4.723
XLogP : 1.309 VDW volume : 290.194543
Molecular weight : 338.139233 HOMO-LUMO gap : 8.220000
Herb list :
Refrences & Litretures:
  
471.      Journal:'Phytochem. Anal'      Year:'1999'      Volume:'10'      Page:'6'      DOI:''      Title:'Alkaloids and Organic Acids Content of Eight Fumaria Species'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us