NP-MRD: Showing NP-Card for (z)-cinnamoylcocaine (NP0287983)

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Record Information

Version

2.0

Created at

2022-09-09 17:29:47 UTC

Updated at

2022-09-09 17:29:47 UTC

NP-MRD ID

NP0287983

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(z)-cinnamoylcocaine

Description

Cis-Cinnamoylcocaine belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. (z)-cinnamoylcocaine is found in Erythroxylum coca. (z)-cinnamoylcocaine was first documented in 2005 (PMID: 16382835). Based on a literature review a small amount of articles have been published on cis-Cinnamoylcocaine (PMID: 19453388) (PMID: 17553089) (PMID: 35212556).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.3614    3.0590    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    1.9389   -0.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    1.2646    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114    1.6695    1.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7823    0.1045   -0.6963 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7381   -0.8919   -1.0389 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5618   -0.3545   -1.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -0.3980   -2.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -1.0161   -3.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6544    0.0784   -2.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.6709   -1.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.9552   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173    2.1334    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800    2.4548    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780    1.6036    2.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258    0.4355    1.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.1297    0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681   -1.9572    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497   -2.4503    0.4112 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7765   -2.7605   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522   -1.4932   -1.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0114   -0.5154   -0.1198 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8604   -1.4124    0.9572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655   -0.9346    2.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    2.7883    1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.4518   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    3.8341    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1632    0.5731   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.3811   -1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -0.0622   -3.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778    0.9907   -2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    2.7936   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2287    3.3909    1.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    1.9053    3.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605   -0.2237    2.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.8423    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0849   -2.8403   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1305   -1.5188    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539   -3.3289    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   -3.6185   -0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209   -3.0851   -1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6141   -1.6982   -0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153   -1.1140   -2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8015    0.2599    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089   -0.1622    2.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180   -0.6463    2.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714   -1.7798    2.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5 22  1  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 19 23  1  0
 23 24  1  0
  6  5  1  0
 17 12  1  0
 23 22  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  6
 22 44  1  1
 21 42  1  0
 21 43  1  0
 20 40  1  0
 20 41  1  0
 19 39  1  1
 18 37  1  0
 18 38  1  0
  6 29  1  6
 10 30  1  0
 11 31  1  0
 13 32  1  0
 14 33  1  0
 15 34  1  0
 16 35  1  0
 17 36  1  0
 24 45  1  0
 24 46  1  0
 24 47  1  0
M  END


  Mrv1652309092219292D          

 24 26  0  0  1  0            999 V2000
    2.8074   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930   -1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -0.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    0.1722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4380    0.9155    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2630    0.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    1.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    1.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    2.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    3.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    3.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    3.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380    3.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1505    3.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380    2.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    2.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    1.8423    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6307    1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -0.0114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0440    0.9155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  6  0  0  0
 19 23  1  6  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0287983

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)\C=C/C1=CC=CC=C1)N2C

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16-,18+/m0/s1

> <INCHI_KEY>
MQIXMJWNEKUAOZ-ZFYRMRLISA-N

> <FORMULA>
C19H23NO4

> <MOLECULAR_WEIGHT>
329.396

> <EXACT_MASS>
329.162708225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
34.00088960978758

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (1R,2R,3S,5S)-8-methyl-3-{[(2Z)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octane-2-carboxylate

> <JCHEM_LOGP>
2.8206988783333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.903735520854296

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
90.90609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1R,2R,3S,5S)-8-methyl-3-{[(2Z)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octane-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       5.240  -3.520   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.280  -2.316   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.843  -0.883   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.366  -0.653   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.883   0.321   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.551   1.709   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.091   1.709   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.861   3.043   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.401   3.043   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.091   4.376   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.861   5.710   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.401   5.710   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.171   7.044   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.711   7.044   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.481   5.710   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.711   4.376   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.171   4.376   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.883   3.096   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.381   3.439   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.177   2.479   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.177   0.939   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.381  -0.021   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       1.949   1.709   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       0.409   1.709   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   22                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    6   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    5   23                                                  
CONECT   23   22   19   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₃NO₄

Average Mass

329.3960 Da

Monoisotopic Mass

329.16271 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)\C=C/C1=CC=CC=C1)N2C

InChI Identifier

InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16-,18+/m0/s1

InChI Key

MQIXMJWNEKUAOZ-ZFYRMRLISA-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
Erythroxylum coca	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acid esters

Direct Parent

Cinnamic acid esters

Alternative Parents

Substituents

Cinnamic acid ester
Tropane alkaloid
Piperidinecarboxylic acid
Styrene
Fatty acid ester
Fatty acyl
Benzenoid
N-alkylpyrrolidine
Piperidine
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

52084826

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12798013

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Casale JF, Toske SG, Colley VL: Alkaloid content of the seeds from Erythroxylum Coca var. Coca. J Forensic Sci. 2005 Nov;50(6):1402-6. [PubMed:16382835 ]
Lydon J, Casale JF, Kong H, Sullivan JH, Daughtry CS, Bailey B: The effects of ambient solar UV radiation on alkaloid production by Erythroxylum novogranatense var. novogranatense. Photochem Photobiol. 2009 Sep-Oct;85(5):1156-61. doi: 10.1111/j.1751-1097.2009.00562.x. Epub 2009 Apr 21. [PubMed:19453388 ]
Casale JF, Hays PA, Toske SG, Berrier AL: Four new illicit cocaine impurities from the oxidation of crude cocaine base: formation and characterization of the diastereomeric 2,3-dihydroxy-3-phenylpropionylecgonine methyl esters from cis- and trans-cinnamoylcocaine. J Forensic Sci. 2007 Jul;52(4):860-6. doi: 10.1111/j.1556-4029.2007.00476.x. Epub 2007 Jun 6. [PubMed:17553089 ]
Le Dare B, Allard S, Couette A, Allard PM, Morel I, Gicquel T: Comparison of Illicit Drug Seizures Products of Natural Origin Using a Molecular Networking Approach. Int J Toxicol. 2022 Mar-Apr;41(2):108-114. doi: 10.1177/10915818211065161. Epub 2022 Feb 25. [PubMed:35212556 ]
LOTUS database [Link]

Showing NP-Card for (z)-cinnamoylcocaine (NP0287983)

MOL for NP0287983 ((z)-cinnamoylcocaine)

3D MOL for NP0287983 ((z)-cinnamoylcocaine)

3D SDF for NP0287983 ((z)-cinnamoylcocaine)

3D-SDF for NP0287983 ((z)-cinnamoylcocaine)

PDB for NP0287983 ((z)-cinnamoylcocaine)

3D PDB for NP0287983 ((z)-cinnamoylcocaine)

SMILES for NP0287983 ((z)-cinnamoylcocaine)

INCHI for NP0287983 ((z)-cinnamoylcocaine)

Structure for NP0287983 ((z)-cinnamoylcocaine)

3D Structure for NP0287983 ((z)-cinnamoylcocaine)