NP-MRD: Showing NP-Card for (3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (NP0213833)

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Record Information

Version

2.0

Created at

2022-09-05 12:56:18 UTC

Updated at

2022-09-05 12:56:18 UTC

NP-MRD ID

NP0213833

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Description

(3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]Octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. (3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is found in Erythroxylum pervillei. Based on a literature review very few articles have been published on (3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]Octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052214562D          

 43 46  0  0  1  0            999 V2000
    3.6130    6.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

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M  END


  Mrv1652309052214562D          

 43 46  0  0  1  0            999 V2000
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    0.2374   -0.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -1.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007   -1.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824   -1.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4506   -1.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1322   -1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457   -2.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3273   -2.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656   -3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9024   -2.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407   -3.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974   -3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -2.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    3.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3755    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    4.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3755    5.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    5.6376    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 21 32  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 11 34  1  0  0  0  0
 33 35  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 41  2  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0213833

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\C(=O)O[C@H]2CC3C[C@@H](CC2N3C)OC(=O)\C=C\C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C32H39NO10/c1-33-21-16-22(42-29(34)10-8-19-12-25(36-2)31(40-6)26(13-19)37-3)18-23(33)24(17-21)43-30(35)11-9-20-14-27(38-4)32(41-7)28(15-20)39-5/h8-15,21-24H,16-18H2,1-7H3/b10-8+,11-9+/t21?,22-,23?,24-/m0/s1

> <INCHI_KEY>
QRMASVGVVOOIOZ-DRDSSUTESA-N

> <FORMULA>
C32H39NO10

> <MOLECULAR_WEIGHT>
597.661

> <EXACT_MASS>
597.25739646

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
64.76554043170162

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
4.007616894

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.266072105993155

> <JCHEM_POLAR_SURFACE_AREA>
111.22000000000001

> <JCHEM_REFRACTIVITY>
159.82629999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       6.744  11.857   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.514  10.524   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.744   9.190   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.514   7.856   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.744   6.523   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.514   5.189   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.744   3.855   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.514   2.522   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.054   2.522   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.744   1.188   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.204   1.188   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.536   2.575   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.035   2.918   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.831   1.958   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.831   0.418   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.443  -0.250   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.328  -1.786   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.059  -2.454   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.600  -2.654   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.988  -1.985   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.260  -2.853   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.648  -2.185   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.920  -3.052   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.308  -2.384   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.580  -3.252   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.805  -4.588   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.078  -5.455   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.963  -6.991   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.418  -5.256   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.303  -6.792   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.915  -7.460   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.145  -4.389   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.035  -0.542   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.536  -0.200   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       2.602   1.188   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       1.062   1.188   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.204   6.523   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.434   7.856   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.894   7.856   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.124   9.190   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.204   9.190   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       4.434  10.524   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.894  10.524   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   37                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   34                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   35                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   33                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   32                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   21                                                       
CONECT   33   15   34   35                                                  
CONECT   34   33   11                                                       
CONECT   35   33   13   36                                                  
CONECT   36   35                                                            
CONECT   37    5   38                                                       
CONECT   38   37   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38    3   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Value	Source
(3S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₃₂H₃₉NO₁₀

Average Mass

597.6610 Da

Monoisotopic Mass

597.25740 Da

IUPAC Name

(3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Traditional Name

(3S,6S)-8-methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\C(=O)O[C@H]2CC3C[C@@H](CC2N3C)OC(=O)\C=C\C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

InChI Identifier

InChI=1S/C32H39NO10/c1-33-21-16-22(42-29(34)10-8-19-12-25(36-2)31(40-6)26(13-19)37-3)18-23(33)24(17-21)43-30(35)11-9-20-14-27(38-4)32(41-7)28(15-20)39-5/h8-15,21-24H,16-18H2,1-7H3/b10-8+,11-9+/t21?,22-,23?,24-/m0/s1

InChI Key

QRMASVGVVOOIOZ-DRDSSUTESA-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 pervillei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Substituents

Coumaric acid or derivatives
Cinnamic acid ester
Tropane alkaloid
Anisole
Phenol ether
Styrene
Phenoxy compound
Methoxybenzene
Alkyl aryl ether
Fatty acid ester
Fatty acyl
Benzenoid
Monocyclic benzene moiety
N-alkylpyrrolidine
Piperidine
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Amino acid or derivatives
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Ether
Amine
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
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	4.01	ChemAxon
pKa (Strongest Basic)	8.27	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	111.22 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	159.83 m³·mol⁻¹	ChemAxon
Polarizability	64.77 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

24687715

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44576221

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (NP0213833)

MOL for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D MOL for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D SDF for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D-SDF for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

PDB for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D PDB for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

SMILES for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

INCHI for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

Structure for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D Structure for NP0213833 ((3s,6s)-8-methyl-6-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)