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ScientificNameLabel
N-Methylhydrastine methyl ester
PHCD compound ID : 3425
Chemical Names :
N-Methylhydrastine methyl ester
Molecular Formula : C23H27N1O7
Molecular Weight : 429.178752
More Details :
Names & Synonyms:
Smiles: COC(=O)c1c(ccc(c1OC)OC)C(=O)Cc1cc2OCOc2cc1CCN(C)C
InChi : InChI=1S/C23H27NO7/c1-24(2)9-8-14-11-19-20(31-13-30-19)12-15(14)10-17(25)16-6-7-18(27-3)22(28-4)21(16)23(26)29-5/h6-7,11-12H,8-10,13H2,1-5H3
InChi Key : InChIKey=BVNJWCFAMUHSNK-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.416318
Hydrogen bond donor count : 0 Electric dipole moment : 3.340
XLogP : 1.494 VDW volume : 398.931406
Molecular weight : 429.178752 HOMO-LUMO gap : 7.757000
Herb list :
Refrences & Litretures:
  
478.      Journal:'Journal of Asian Natural Products Research'      Year:'2014'      Volume:'16'      Page:'1148'      DOI:'10.1080/10286020.2014.969717'      Title:'Adlumiceine methyl ester, a new alkaloid from Fumaria vaillantii'
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