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ScientificNameLabel
Neopine
PHCD compound ID : 3564
Chemical Names :
Neopine
Molecular Formula : C18H21N1O3
Molecular Weight : 299.152144
More Details :
Names & Synonyms: (4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Smiles: COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CC[C@@H]1O)C
InChi : InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1
InChi Key : InChIKey=NNDKZTBFZTWKLA-QISBLDNZSA-N
PubChem ID : 5462437
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.471381
Hydrogen bond donor count : 1 Electric dipole moment : 2.204
XLogP : 0.505 VDW volume : 274.023494
Molecular weight : 299.152144 HOMO-LUMO gap : 8.635000
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'
502.      Journal:'Journal of Ethnopharmacology'      Year:'1981'      Volume:'3'      Page:'21'      DOI:''      Title:'BIOLOGICAL ACTIVITY OF THE ALKALOIDS OF PAPAVER BRACTEATUM LINDL'
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