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ScientificNameLabel
(-)-Thebaine
PHCD compound ID : 3559
Chemical Names :
(-)-Thebaine
Molecular Formula : C19H21N1O3
Molecular Weight : 311.152144
More Details :
Names & Synonyms: 7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Smiles: COC1=CC=C2[C@]34[C@@H]1Oc1c4c(C[C@@H]2N(CC3)C)ccc1OC
InChi : InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m0/s1
InChi Key : InChIKey=FQXXSQDCDRQNQE-MJXNMMHHSA-N
PubChem ID : 408120
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.283847
Hydrogen bond donor count : 0 Electric dipole moment : 3.386
XLogP : 1.264 VDW volume : 288.68302
Molecular weight : 311.152144 HOMO-LUMO gap : 8.326000
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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