NP-MRD: Showing NP-Card for Cinnamoylcocaine (NP0051319)

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Record Information

Version

2.0

Created at

2022-04-27 22:41:46 UTC

Updated at

2022-04-27 22:41:46 UTC

NP-MRD ID

NP0051319

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cinnamoylcocaine

Description

Methyl (1R,2R,3R,5S)-8-methyl-3-{[(2E)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]Octane-2-carboxylate belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Cinnamoylcocaine is found in Erythroxylon coco, Erythroxylon monogynum Roxb., Erythroxylum coca and Erythroxylum truxillense. Based on a literature review very few articles have been published on methyl (1R,2R,3R,5S)-8-methyl-3-{[(2E)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]Octane-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
   -0.5738    2.9894    1.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318    1.9224    0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667    1.1251    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    1.3785    1.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772    0.0169   -0.1659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0105   -1.0452   -0.0776 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2851   -0.5489   -0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946   -0.7610    0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8182   -1.4603    1.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554   -0.2081    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.5251   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    1.1101   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6731    1.8724   -1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    2.4330   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8548    2.2376   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500    1.4887    0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2614    0.9372    0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -1.9870   -1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -2.3925   -1.1474 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5942   -1.5310   -2.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.5412   -1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099   -0.6525    0.0983 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2616   -2.1134    0.1739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5496   -2.7104    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124    3.8555    1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761    3.2586    1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1029    2.7535    2.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584    0.3830   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -1.6609    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182   -0.4078    1.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    0.6849   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    2.0152   -2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2154    3.0289   -2.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8649    2.6622   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    1.3103    1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525    0.3488    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6452   -2.8909   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -1.4450   -2.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627   -3.4577   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3929   -2.1711   -2.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -1.0132   -2.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1964    0.4995   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3248   -0.8141   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.2530    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1301   -2.1825    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0966   -2.8235   -0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220   -3.7660    0.6828 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  6
 18 37  1  0
 18 38  1  0
  6 29  1  1
 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


  Mrv1652304282200412D          

 24 26  0  0  1  0            999 V2000
    0.6075    0.8158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -0.1110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6436    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    0.8158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6436    1.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8393    1.7427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1942    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    2.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    3.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    0.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390    0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265   -3.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015   -3.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  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  1  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051319

> <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-KCFXOXMASA-N

> <FORMULA>
C19H23NO4

> <MOLECULAR_WEIGHT>
329.396

> <EXACT_MASS>
329.162708225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.439783508272264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
2.8206988783333333

> <ALOGPS_LOGS>
-3.00

> <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>
90.90610000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.26e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  N   UNK     0       1.134   1.523   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.567  -0.207   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.068   0.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.736   1.523   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.068   2.910   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.567   3.253   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.363   2.293   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.363   0.753   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.028   4.114   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.551   3.885   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.466   5.548   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.426   6.752   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.276   1.523   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.046   0.189   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.586   0.189   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.276  -1.144   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.046  -2.478   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.276  -3.812   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.046  -5.145   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.276  -6.479   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.736  -6.479   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.966  -5.145   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.736  -3.812   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.406   1.523   0.000  0.00  0.00           C+0
CONECT    1    2    6   24                                                  
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   13                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    2                                                       
CONECT    9    5   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11                                                            
CONECT   13    4   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24    1                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
Methyl (1R,2R,3R,5S)-8-methyl-3-{[(2E)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octane-2-carboxylic acid	Generator

Chemical Formula

C₁₉H₂₃NO₄

Average Mass

329.3960 Da

Monoisotopic Mass

329.16271 Da

IUPAC Name

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

Traditional Name

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

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-KCFXOXMASA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Erythroxylon coco	-	KNApSAcK
Erythroxylon monogynum Roxb.	-	KNApSAcK
Erythroxylum coca	Plant	KNApSAcK
Erythroxylum novogranatense var. truxillense	Plant	KNApSAcK

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
logP	2.73	ALOGPS
logP	2.82	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Basic)	8.9	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	90.91 m³·mol⁻¹	ChemAxon
Polarizability	35.44 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

159641050

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Cinnamoylcocaine (NP0051319)

MOL for NP0051319 (Cinnamoylcocaine)

3D MOL for NP0051319 (Cinnamoylcocaine)

3D SDF for NP0051319 (Cinnamoylcocaine)

3D-SDF for NP0051319 (Cinnamoylcocaine)

PDB for NP0051319 (Cinnamoylcocaine)

3D PDB for NP0051319 (Cinnamoylcocaine)

SMILES for NP0051319 (Cinnamoylcocaine)

INCHI for NP0051319 (Cinnamoylcocaine)

Structure for NP0051319 (Cinnamoylcocaine)

3D Structure for NP0051319 (Cinnamoylcocaine)