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ScientificNameLabel
Scopolamine
PHCD compound ID : 1957
Chemical Names :
Scopolamine
Molecular Formula : C17H21N1O4
Molecular Weight : 303.147058
More Details :
Names & Synonyms:
Smiles: OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@@H]1[C@H]2O1)C
InChi : InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChi Key : InChIKey=STECJAGHUSJQJN-VJQRDGCPSA-N
PubChem ID : 3000322
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.107431
Hydrogen bond donor count : 1 Electric dipole moment : 2.733
XLogP : 0.59 VDW volume : 277.874195
Molecular weight : 303.147058 HOMO-LUMO gap : 9.073000
Herb list :
Refrences & Litretures:
  
231.      Journal:'Fitoterapia'      Year:'2006'      Volume:'77'      Page:'179'      DOI:'10.1016/j.fitote.2006.01.002'      Title:'Alkaloid patterns in some varieties of Datura stramonium'
959.      Journal:'Journal of Medicinal Plants Research'      Year:'2011'      Volume:'5'      Page:'6515'      DOI:'10.5897/JMPR11.482'      Title:'Tropane alkaloids of Atropa belladonna L. and Atropa acuminata Royle ex Miers plants'
960.      Journal:'Planta Med'      Year:'1986'      Volume:'52'      Page:'85'      DOI:'10.1055/s-2007-969086'      Title:'Tropane Alkaloids from Atropa belladonna; Part I. Capillary Gas Chromatographic Analysis'
962.      Journal:'The european agency for the evaluation of medicinal products'      Year:'1998'      Volume:''      Page:''      DOI:''      Title:'committee for veterinary medicinal products ATROPA BELLADONNA'
963.      Journal:'Electrophoresis'      Year:'2008'      Volume:'29'      Page:'2112'      DOI:'10.1002/elps.200700468'      Title:'Characterization of Atropa belladonna L. compounds by capillary electrophoresis-electrospray onization-time of flight-mass spectrometry and capillary electrophoresis-electrospray ionization-ion trap-mass spectrometry'
964.      Journal:'Adv. Nutr'      Year:'2011'      Volume:'2'      Page:'32'      DOI:'10.3945/an.110.000117'      Title:'Herbal Extracts and Phytochemicals: Plant Secondary Metabolites and the Enhancement of Human Brain Function'
965.      Journal:'Forensic Plant Science'      Year:'2016'      Volume:''      Page:'1'      DOI:'10.1016/B978-0-12-801475-2.00001-4'      Title:'Introduction to Forensic Plant Science'
966.      Journal:'Encyclopedia of Toxicology'      Year:'2014'      Volume:'3'      Page:'970'      DOI:'10.1016/B978-0-12-386454-3.00048-8'      Title:'Plants, Poisonous (Humans)'
967.      Journal:'Advances in Pharmacology'      Year:'2016'      Volume:'75'      Page:'325'      DOI:'10.1016/bs.apha.2016.01.001'      Title:'The Potential of Traditional Chinese Medicine in the Treatment and Modulation of Pain'
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