NP-MRD: Showing NP-Card for (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate (NP0309633)

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Record Information

Version

2.0

Created at

2022-09-11 04:21:58 UTC

Updated at

2022-09-11 04:21:58 UTC

NP-MRD ID

NP0309633

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate

Description

Scopolamine, also known as hyoscine or kwells, belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate is found in Datura stramonium. (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate was first documented in 2022 (PMID: 36112867). Based on a literature review a small amount of articles have been published on scopolamine (PMID: 36111936) (PMID: 36102017) (PMID: 36098553) (PMID: 36093815).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
   -4.7712    0.4200   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4548   -0.0628   -0.4758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6988   -0.2947   -1.6671 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2060   -0.2405   -1.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -0.3753    0.1248 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2648   -0.4188    0.5647 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    0.5296    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374    1.4496    1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2307    0.4586    1.8750 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4883    1.5863    2.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    2.8268    2.2985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.5084    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261    1.5788   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    1.5790   -1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.5449   -1.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708   -0.5205   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983   -0.5212    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -1.5523    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3369   -1.2902    0.2455 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7281   -2.3183   -0.8119 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4806   -1.9307   -1.8919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251   -1.6941   -2.0582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8019    1.0270   -1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9813    1.1680    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5760   -0.3197   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.3657   -2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738    0.7748   -1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7361   -1.0417   -1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264    0.5308    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.4820    2.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892    1.4631    3.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    1.4448    3.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733    3.2385    2.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    2.4309   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9749    2.4317   -1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5495    0.5700   -2.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5505   -1.3271   -0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326   -1.3750    1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -2.4475    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433   -1.6993    1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9893   -1.3394    1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5956   -3.3793   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -2.2967   -2.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 19  2  1  0
 22 20  1  0
 17 12  1  0
 22  3  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  6
  4 27  1  0
  4 28  1  0
  5 29  1  1
 18 39  1  0
 18 40  1  0
 19 41  1  1
 20 42  1  1
 22 43  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 13 34  1  0
 14 35  1  0
 15 36  1  0
 16 37  1  0
 17 38  1  0
M  END


  Mrv1652309112206212D          

 22 25  0  0  1  0            999 V2000
    0.0005    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255    1.2684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    0.3415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8615    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445   -0.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820    0.5539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6945    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9320   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945   -1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615    2.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    2.1953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4122    1.6809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3023    1.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.8559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  6  0  0  0
  3 22  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0309633

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
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>
STECJAGHUSJQJN-USLFZFAMSA-N

> <FORMULA>
C17H21NO4

> <MOLECULAR_WEIGHT>
303.358

> <EXACT_MASS>
303.14705816

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.07497885459705

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

> <JCHEM_LOGP>
0.8949522950000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.145739865848086

> <JCHEM_PKA_STRONGEST_BASIC>
6.953523808607151

> <JCHEM_POLAR_SURFACE_AREA>
62.3

> <JCHEM_REFRACTIVITY>
79.72130000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       0.001   2.368   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.541   2.368   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.973   0.637   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.475   0.980   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.143   2.368   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.683   2.368   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.453   1.034   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.683  -0.300   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       7.993   1.034   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.763   2.368   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.303   2.368   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.763  -0.300   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.303  -0.300   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.073  -1.633   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.303  -2.967   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.763  -2.967   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.993  -1.633   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.475   3.755   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.973   4.098   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.769   3.138   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.564   2.368   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.769   1.598   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    5   19                                                       
CONECT   19   18    2   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   22                                                       
CONECT   22   21    3   20                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Value	Source
Kwells	MeSH
Scopoderm TTS	MeSH
Scopolamine hydrobromide	MeSH
Travacalm ho	MeSH
Vorigeno	MeSH
Transderm scop	MeSH
Transderm-V	MeSH
Boro scopol	MeSH
Hyoscine	MeSH
Scopolamine cooper	MeSH
Boro-scopol	MeSH
Isopto hyoscine	MeSH
Scoburen	MeSH
Scopace	MeSH
Transderm V	MeSH

Chemical Formula

C₁₇H₂₁NO₄

Average Mass

303.3580 Da

Monoisotopic Mass

303.14706 Da

IUPAC Name

(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

Traditional Name

(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

CAS Registry Number

Not Available

SMILES

CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

InChI Identifier

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

STECJAGHUSJQJN-USLFZFAMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Datura stramonium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Beta hydroxy acids and derivatives

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Substituents

Beta-hydroxy acid
Monocyclic benzene moiety
Morpholine
Oxazinane
Piperidine
N-alkylpyrrolidine
Benzenoid
Pyrrolidine
Amino acid or derivatives
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Oxacycle
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Primary alcohol
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Amine
Organic oxide
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.89	ChemAxon
pKa (Strongest Acidic)	15.15	ChemAxon
pKa (Strongest Basic)	6.95	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	62.3 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	79.72 m³·mol⁻¹	ChemAxon
Polarizability	31.07 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002292

Chemspider ID

2271976

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Scopolamine

METLIN ID

Not Available

PubChem Compound

3000322

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chandramouleeshwaran S, Ghazala Z, Nobrega JN, Raymond R, Gambino S, Pollock BG, Rajji TK: Cell-based serum anticholinergic activity assay and working memory in cognitively healthy older adults before and after scopolamine: An exploratory study. J Psychopharmacol. 2022 Sep;36(9):1070-1076. doi: 10.1177/02698811221122019. Epub 2022 Sep 12. [PubMed:36112867 ]
Venkatesan K: Anti-amnesic and anti-cholinesterase activities of alpha-asarone against scopolamine-induced memory impairments in rats. Eur Rev Med Pharmacol Sci. 2022 Sep;26(17):6344-6350. doi: 10.26355/eurrev_202209_29660. [PubMed:36111936 ]
Garrido E, Climent E, Marcos MD, Sancenon F, Rurack K, Martinez-Manez R: Dualplex lateral flow assay for simultaneous scopolamine and "cannibal drug" detection based on receptor-gated mesoporous nanoparticles. Nanoscale. 2022 Sep 29;14(37):13505-13513. doi: 10.1039/d2nr03325a. [PubMed:36102017 ]
Wang S, Su G, Fan J, Xiao Z, Zheng L, Zhao M, Wu J: Arginine-Containing Peptides Derived from Walnut Protein Against Cognitive and Memory Impairment in Scopolamine-Induced Zebrafish: Design, Release, and Neuroprotection. J Agric Food Chem. 2022 Sep 21;70(37):11579-11590. doi: 10.1021/acs.jafc.2c05104. Epub 2022 Sep 13. [PubMed:36098553 ]
Mohibbullah M, Pringgo Wicaksono MY, Hannan MA, Dash R, Nur Meinita MD, Choi JS, Hong YK, Moon IS: The Edible Seaweed Gelidium amansii Promotes Structural Plasticity of Hippocampal Neurons and Improves Scopolamine-Induced Learning and Memory Impairment in Mice. CNS Neurol Disord Drug Targets. 2022 Sep 9. doi: 10.2174/1871527321666220909142158. [PubMed:36093815 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate (NP0309633)

MOL for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

3D MOL for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

3D SDF for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

3D-SDF for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

PDB for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

3D PDB for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

SMILES for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

INCHI for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

Structure for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)

3D Structure for NP0309633 ((1r,2r,4s,5s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate)