NP-MRD: Showing NP-Card for (5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one (NP0228357)

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Record Information

Version

2.0

Created at

2022-09-06 07:58:56 UTC

Updated at

2022-09-06 07:58:56 UTC

NP-MRD ID

NP0228357

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one

Description

(5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one is found in Pandanus amaryllifolius.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652307301919592D          

 25 27  0  0  0  0            999 V2000
   -2.1591    6.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061   -0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8359    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494    0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298    3.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2425    1.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233    5.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584   -0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882    5.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    0.5251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0887    0.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7048    5.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    1.1571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    5.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809    1.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794    4.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    4.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568    1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -0.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 12  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 18  9  1  0  0  0  0
 14 18  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  1  0  0  0  0
 22 17  1  0  0  0  0
  6 23  2  0  0  0  0
 23 10  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  6  0  0  0
 15 25  1  6  0  0  0
M  END

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
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    5.2406    0.8107    1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0158   -1.5092   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -1.4922    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7490   -1.4425   -0.7501 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2982    0.8657    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2413   -0.3443    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1957    1.5841    2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.3076    1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -0.5904    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433   -0.9182   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775    1.4030   -1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    1.7228   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -0.1597   -2.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437    1.3753   -2.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293   -2.0089   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651   -2.1640   -1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -1.7758    1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -2.2059    0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6339   -0.2496   -0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0409    1.4074    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 20  1  0
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  4 21  1  0
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 22 23  2  0
 22  2  1  0
  2  1  1  0
  2  3  2  0
 15 14  1  0
  9 13  1  0
  3  4  1  0
 14 42  1  6
 17 44  1  0
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 13 41  1  1
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  6 29  1  0
  6 30  1  0
  5 28  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
M  END


  Mrv1652307301919592D          

 25 27  0  0  0  0            999 V2000
   -2.1591    6.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061   -0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8359    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494    0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298    3.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2425    1.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233    5.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584   -0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882    5.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    0.5251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0887    0.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7048    5.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    1.1571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    5.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809    1.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794    4.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    4.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568    1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -0.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 12  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 18  9  1  0  0  0  0
 14 18  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  1  0  0  0  0
 22 17  1  0  0  0  0
  6 23  2  0  0  0  0
 23 10  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  6  0  0  0
 15 25  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0228357

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(OC(=O)C(C)=C1)[C@@]1([H])CCCN1CCC\C=C1/OC(=O)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16+/m1/s1

> <INCHI_KEY>
HSICZNIIIPFAAO-RWENTQQKSA-N

> <FORMULA>
C18H23NO4

> <MOLECULAR_WEIGHT>
317.385

> <EXACT_MASS>
317.162708225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
35.211460874111914

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5S)-3-methyl-5-[(2R)-1-{4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}pyrrolidin-2-yl]-2,5-dihydrofuran-2-one

> <JCHEM_LOGP>
2.986184883666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.983883827368615

> <JCHEM_PKA_STRONGEST_BASIC>
9.404317787091088

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
89.41509999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-3-methyl-5-[(2R)-1-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JUL-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-19         0                                  
HETATM    1  C   UNK     0      -4.030  12.436   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.691  -0.331   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.921   6.218   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.294   4.724   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.879   0.047   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.029   7.288   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.385  -0.326   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.186   3.654   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.986   1.583   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.643  10.216   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.042  -0.092   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.271  10.915   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.385   0.485   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.569   0.980   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.032   1.088   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.182   9.826   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.278   2.021   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -4.558   2.160   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      -1.661  10.067   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.458   3.011   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.882   8.454   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.216   2.394   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.403   8.695   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0      -3.093   2.445   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0      -2.731  -0.284   0.000  0.00  0.00           H+0
CONECT    1   12                                                            
CONECT    2   13                                                            
CONECT    3    4    6                                                       
CONECT    4    3    8                                                       
CONECT    5    7    9                                                       
CONECT    6    3   23                                                       
CONECT    7    5   14                                                       
CONECT    8    4   18                                                       
CONECT    9    5   18                                                       
CONECT   10   12   23                                                       
CONECT   11   13   15                                                       
CONECT   12    1   10   16                                                  
CONECT   13    2   11   17                                                  
CONECT   14    7   15   18   24                                             
CONECT   15   11   14   22   25                                             
CONECT   16   12   19   21                                                  
CONECT   17   13   20   22                                                  
CONECT   18    8    9   14                                                  
CONECT   19   16                                                            
CONECT   20   17                                                            
CONECT   21   16   23                                                       
CONECT   22   15   17                                                       
CONECT   23    6   10   21                                                  
CONECT   24   14                                                            
CONECT   25   15                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₃NO₄

Average Mass

317.3850 Da

Monoisotopic Mass

317.16271 Da

IUPAC Name

(5S)-3-methyl-5-[(2R)-1-{4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}pyrrolidin-2-yl]-2,5-dihydrofuran-2-one

Traditional Name

(5S)-3-methyl-5-[(2R)-1-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

[H][C@@]1(OC(=O)C(C)=C1)[C@@]1([H])CCCN1CCC\C=C1/OC(=O)C(C)=C1

InChI Identifier

InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16+/m1/s1

InChI Key

HSICZNIIIPFAAO-RWENTQQKSA-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
Pandanus amaryllifolius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

2-furanone
Dicarboxylic acid or derivatives
N-alkylpyrrolidine
Enol ester
Pyrrolidine
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Carboxylic acid ester
Lactone
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Oxacycle
Azacycle
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic oxygen compound
Amine
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
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	2.99	ChemAxon
pKa (Strongest Acidic)	12.98	ChemAxon
pKa (Strongest Basic)	9.4	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	5	ChemAxon
Refractivity	89.42 m³·mol⁻¹	ChemAxon
Polarizability	35.21 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014398

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

91885041

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one (NP0228357)

MOL for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

3D MOL for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

3D SDF for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

3D-SDF for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

PDB for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

3D PDB for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

SMILES for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

INCHI for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

Structure for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)

3D Structure for NP0228357 ((5s)-3-methyl-5-[(2r)-1-{4-[(2z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5h-furan-2-one)