NP-MRD: Showing NP-Card for (7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate (NP0164894)

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Record Information

Version

2.0

Created at

2022-09-02 23:52:14 UTC

Updated at

2022-09-02 23:52:14 UTC

NP-MRD ID

NP0164894

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate

Description

Makalika ester belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. (7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate is found in Stylocheilus longicauda. (7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate was first documented in 2000 (PMID: 10924193). Based on a literature review very few articles have been published on Makalika ester.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 53  0  0  0  0  0  0  0  0999 V2000
    3.3756   -1.1614   -0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2297   -0.6324   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891    0.7266   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9235    1.2535    0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6882    1.5867    2.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    2.0960    2.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5559    2.4342    4.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    3.0537    5.1089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3653   -1.3669   -1.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046   -1.7172   -1.1033 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8007   -0.6309   -0.7314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9945   -0.3071   -1.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253   -1.0554   -2.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8758    0.8020   -1.0418 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0842    1.8047   -2.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8090    2.9106   -1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    2.5924    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.6339    0.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    2.4350   -0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438   -2.7484   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -2.2751    1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930   -4.0216   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -3.1881    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541   -0.6610    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -2.1540   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    1.4416   -1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067    0.6661    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326    1.3729    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773    1.4657    2.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569    2.1942    2.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    2.3276    4.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521   -0.7310   -2.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149   -2.2689   -1.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4807   -2.2613   -1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700    0.3824   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    2.1502   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6943    1.4014   -2.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8929    2.7852   -1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4258    3.9140   -1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4424    2.0096    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3354    3.4810    0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    3.4530   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696    1.9536   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    2.5808    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0597   -2.8718    2.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.5588    1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198   -1.2324    1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811   -3.9188   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953   -4.7955    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238   -4.3850   -1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1185   -2.3622    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -3.9756    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832   -3.6281   -0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 12  1  0
 12 13  2  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
 10 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 14 18  1  0
 19 42  1  0
 19 43  1  0
 19 44  1  0
 17 40  1  0
 17 41  1  0
 16 38  1  0
 16 39  1  0
 15 36  1  0
 15 37  1  0
 14 35  1  1
 10 34  1  6
  9 32  1  0
  9 33  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
 21 45  1  0
 21 46  1  0
 21 47  1  0
 22 48  1  0
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 23 53  1  0
M  END


  Mrv1652309032201522D          

 23 23  0  0  1  0            999 V2000
    5.2079   -2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954   -3.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704   -3.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579   -2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704   -1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579   -0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579    0.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2079   -3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329   -3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454   -4.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704   -4.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829   -3.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829   -5.2668    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5033   -5.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6749   -6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9604   -6.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3473   -6.0205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5403   -6.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454   -3.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1598   -3.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7309   -2.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579   -2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0164894

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC[C@H]1C(=O)OC(CC(=C)C\C=C\C=C\Cl)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H30ClNO2/c1-15(10-7-6-8-12-20)14-17(19(2,3)4)23-18(22)16-11-9-13-21(16)5/h6-8,12,16-17H,1,9-11,13-14H2,2-5H3/b7-6+,12-8+/t16-,17?/m0/s1

> <INCHI_KEY>
ACHIHHQMGVRBRM-GXDSLTBTSA-N

> <FORMULA>
C19H30ClNO2

> <MOLECULAR_WEIGHT>
339.9

> <EXACT_MASS>
339.1965069

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
37.6436499606626

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2S)-1-methylpyrrolidine-2-carboxylate

> <ALOGPS_LOGP>
5.04

> <JCHEM_LOGP>
4.8067065243333325

> <ALOGPS_LOGS>
-4.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.816656381352309

> <JCHEM_POLAR_SURFACE_AREA>
29.54

> <JCHEM_REFRACTIVITY>
98.50659999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.80e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2S)-1-methylpyrrolidine-2-carboxylate

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       9.721  -4.497   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.951  -5.830   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.411  -5.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.641  -4.497   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.411  -3.163   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.641  -1.829   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.411  -0.496   0.000  0.00  0.00           C+0
HETATM    8 Cl   UNK     0       6.641   0.838   0.000  0.00  0.00          Cl+0
HETATM    9  C   UNK     0       9.721  -7.164   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.261  -7.164   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.031  -8.498   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      13.571  -8.498   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.341  -7.164   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.341  -9.831   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.873  -9.992   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.193 -11.499   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.859 -12.269   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      13.715 -11.238   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      12.209 -11.558   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.031  -5.830   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.365  -6.600   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.698  -5.060   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.801  -4.497   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    2   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19                                                  
CONECT   19   18                                                            
CONECT   20   10   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₃₀ClNO₂

Average Mass

339.9000 Da

Monoisotopic Mass

339.19651 Da

IUPAC Name

(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2S)-1-methylpyrrolidine-2-carboxylate

Traditional Name

(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2S)-1-methylpyrrolidine-2-carboxylate

CAS Registry Number

Not Available

SMILES

CN1CCC[C@H]1C(=O)OC(CC(=C)C\C=C\C=C\Cl)C(C)(C)C

InChI Identifier

InChI=1S/C19H30ClNO2/c1-15(10-7-6-8-12-20)14-17(19(2,3)4)23-18(22)16-11-9-13-21(16)5/h6-8,12,16-17H,1,9-11,13-14H2,2-5H3/b7-6+,12-8+/t16-,17?/m0/s1

InChI Key

ACHIHHQMGVRBRM-GXDSLTBTSA-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
Stylocheilus longicauda	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid esters

Alternative Parents

Substituents

Alpha-amino acid ester
Proline or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
N-alkylpyrrolidine
Pyrrolidine
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Chloroalkene
Haloalkene
Vinyl chloride
Vinyl halide
Organoheterocyclic compound
Organic oxide
Organooxygen compound
Organonitrogen compound
Organochloride
Hydrocarbon derivative
Organic nitrogen compound
Amine
Carbonyl group
Organic oxygen compound
Organohalogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	5.04	ALOGPS
logP	4.81	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Basic)	6.82	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	29.54 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	98.51 m³·mol⁻¹	ChemAxon
Polarizability	37.64 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

C00046811

Chemspider ID

8172927

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9997346

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Gallimore WA, Galario DL, Lacy C, Zhu Y, Scheuer PJ: Two complex proline esters from the sea hare Stylocheilus longicauda. J Nat Prod. 2000 Jul;63(7):1022-6. doi: 10.1021/np990640j. [PubMed:10924193 ]
LOTUS database [Link]

Showing NP-Card for (7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate (NP0164894)

MOL for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

3D MOL for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

3D SDF for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

3D-SDF for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

PDB for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

3D PDB for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

SMILES for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

INCHI for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

Structure for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)

3D Structure for NP0164894 ((7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate)