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ScientificNameLabel
Isoboldine
PHCD compound ID : 3579
Chemical Names :
Isoboldine
Molecular Formula : C19H21N1O4
Molecular Weight : 327.147058
More Details :
Names & Synonyms: 2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Smiles: COc1cc2c(cc1O)C[C@@H]1c3c2c(O)c(OC)cc3CCN1C
InChi : InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1
InChi Key : InChIKey=LINHZVMHXABQLB-CYBMUJFWSA-N
PubChem ID : 98369
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.248448
Hydrogen bond donor count : 2 Electric dipole moment : 3.223
XLogP : 1.115 VDW volume : 296.293247
Molecular weight : 327.147058 HOMO-LUMO gap : 7.923000
Herb list :
Refrences & Litretures:
  
501.      Journal:'Journal of Medicinal Plants'      Year:'2015'      Volume:'14'      Page:'6'      DOI:''      Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
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