NP-MRD: Showing NP-Card for (3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione (NP0195686)

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Record Information

Version

2.0

Created at

2022-09-04 13:35:48 UTC

Updated at

2022-09-04 13:35:48 UTC

NP-MRD ID

NP0195686

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

Description

(3E,5S)-3-[(2E,4E,6E)-1-hydroxy-7-[(1S,6S)-6-[(1E,3E,5E)-7-hydroxy-7-[(2S,4Z)-5-hydroxy-2-(hydroxymethyl)-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. (3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione is found in Physarum polycephalum. Based on a literature review very few articles have been published on (3E,5S)-3-[(2E,4E,6E)-1-hydroxy-7-[(1S,6S)-6-[(1E,3E,5E)-7-hydroxy-7-[(2S,4Z)-5-hydroxy-2-(hydroxymethyl)-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042215352D          

 41 43  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042215352D          

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    4.1883   -9.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -9.2734    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0323  -10.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2118  -10.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763  -10.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558  -10.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7202  -11.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003  -11.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358  -12.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0491  -13.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2563  -12.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688  -13.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332  -14.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4758  -13.1760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0889  -13.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735  -13.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620  -12.3555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083  -12.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368  -11.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637   -6.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486   -6.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186   -5.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2032   -5.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163   -5.7936    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  2  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  6  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0195686

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@@H](CO)C(=O)\C(=C(/O)\C=C\C=C\C=C\[C@@H]2C=CCC[C@H]2\C=C\C=C\C=C\C(\O)=C2/C(O)=N[C@@H](CO)C2=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H34N2O8/c1-33-23(19-35)29(39)27(31(33)41)25(37)17-9-5-3-7-13-21-15-11-10-14-20(21)12-6-2-4-8-16-24(36)26-28(38)22(18-34)32-30(26)40/h2-9,11-13,15-17,20-23,34-37H,10,14,18-19H2,1H3,(H,32,40)/b4-2+,5-3+,12-6+,13-7+,16-8+,17-9+,26-24+,27-25+/t20-,21-,22+,23+/m1/s1

> <INCHI_KEY>
VMPLYMUPAYZMTF-GRRAGATMSA-N

> <FORMULA>
C31H34N2O8

> <MOLECULAR_WEIGHT>
562.619

> <EXACT_MASS>
562.231516063

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
61.62266387063545

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3E,5S)-3-[(2E,4E,6E)-1-hydroxy-7-[(1S,6S)-6-[(1E,3E,5E)-7-hydroxy-7-[(2S,4Z)-5-hydroxy-2-(hydroxymethyl)-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

> <JCHEM_LOGP>
1.9914177926666676

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.394544745817638

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.929622134977864

> <JCHEM_PKA_STRONGEST_BASIC>
0.04781030084871707

> <JCHEM_POLAR_SURFACE_AREA>
167.95999999999998

> <JCHEM_REFRACTIVITY>
164.50140000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3E,5S)-3-[(2E,4E,6E)-1-hydroxy-7-[(1S,6S)-6-[(1E,3E,5E)-7-hydroxy-7-[(3Z,5S)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5H-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.136  -7.815   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -5.136  -9.355   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -3.890 -10.260   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.425  -9.784   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.366 -11.725   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.460 -12.971   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.087 -14.378   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.929 -12.810   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.024 -14.056   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.508 -13.895   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.413 -15.141   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.945 -14.980   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.850 -16.225   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.381 -16.064   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.008 -14.658   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.539 -14.497   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.445 -15.743   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.818 -17.149   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.287 -17.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.660 -18.717   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.129 -18.878   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.502 -20.285   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.971 -20.446   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.344 -21.853   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.187 -22.014   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.814 -23.421   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.092 -24.667   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.345 -23.582   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.115 -24.915   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.489 -26.322   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.621 -24.595   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.766 -25.626   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -7.231 -25.150   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      -4.782 -23.064   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      -3.376 -22.437   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -3.055 -20.931   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -5.906 -11.725   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -6.811 -12.971   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.381 -10.260   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.846  -9.784   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -8.990 -10.815   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   37                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   35                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35                                                       
CONECT   35   34   28   36                                                  
CONECT   36   35                                                            
CONECT   37    5   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    2   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₄N₂O₈

Average Mass

562.6190 Da

Monoisotopic Mass

562.23152 Da

IUPAC Name

Traditional Name

(3E,5S)-3-[(2E,4E,6E)-1-hydroxy-7-[(1S,6S)-6-[(1E,3E,5E)-7-hydroxy-7-[(3Z,5S)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5H-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

CAS Registry Number

Not Available

SMILES

CN1[C@@H](CO)C(=O)\C(=C(/O)\C=C\C=C\C=C\[C@@H]2C=CCC[C@H]2\C=C\C=C\C=C\C(\O)=C2/C(O)=N[C@@H](CO)C2=O)C1=O

InChI Identifier

InChI=1S/C31H34N2O8/c1-33-23(19-35)29(39)27(31(33)41)25(37)17-9-5-3-7-13-21-15-11-10-14-20(21)12-6-2-4-8-16-24(36)26-28(38)22(18-34)32-30(26)40/h2-9,11-13,15-17,20-23,34-37H,10,14,18-19H2,1H3,(H,32,40)/b4-2+,5-3+,12-6+,13-7+,16-8+,17-9+,26-24+,27-25+/t20-,21-,22+,23+/m1/s1

InChI Key

VMPLYMUPAYZMTF-GRRAGATMSA-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
Physarum polycephalum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolidines

Sub Class

N-alkylpyrrolidines

Direct Parent

N-alkylpyrrolidines

Alternative Parents

Substituents

Pyrrolidone
2-pyrrolidone
3-pyrrolidone
N-alkylpyrrolidine
Pyrroline
Tertiary carboxylic acid amide
Cyclic carboximidic acid
Vinylogous acid
Cyclic ketone
Lactim
Carboxamide group
Ketone
Lactam
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Azacycle
Carboxylic acid derivative
Enol
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Alcohol
Carbonyl group
Organic oxide
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	1.99	ChemAxon
pKa (Strongest Acidic)	3.93	ChemAxon
pKa (Strongest Basic)	0.048	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	167.96 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	164.5 m³·mol⁻¹	ChemAxon
Polarizability	61.62 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

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

163188743

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione (NP0195686)

MOL for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

3D MOL for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

3D SDF for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

3D-SDF for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

PDB for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

3D PDB for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

SMILES for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

INCHI for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

Structure for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)

3D Structure for NP0195686 ((3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-2-hydroxy-5-(hydroxymethyl)-4-oxo-5h-pyrrol-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione)