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ScientificNameLabel
14beta-Hydroxycodeinone
PHCD compound ID : 3567
Chemical Names :
14beta-Hydroxycodeinone , 14-beta-Hydroxycodeinone
Molecular Formula : C18H19N1O4
Molecular Weight : 313.131408
More Details :
Names & Synonyms: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one , (4R,4aS,7aR,12bS)-9-methoxy-3-methyl-4a-oxidanyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Smiles: COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)C=CC1=O)C
InChi : InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChi Key : InChIKey=YYCRAERBSFHMPL-XFKAJCMBSA-N
PubChem ID : 9926820
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.610136
Hydrogen bond donor count : 1 Electric dipole moment : 3.167
XLogP : -0.521 VDW volume : 280.177262
Molecular weight : 313.131408 HOMO-LUMO gap : 8.061000
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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