NP-MRD: Showing NP-Card for 3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one (NP0323753)

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Record Information

Version

2.0

Created at

2022-09-12 03:23:07 UTC

Updated at

2022-09-12 03:23:07 UTC

NP-MRD ID

NP0323753

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one

Description

3-(4-Methylpent-3-en-1-yl)-6-[5-(2-oxo-2,5-dihydrofuran-3-yl)pent-2-en-2-yl]-5,6-dihydro-2H-pyran-2-one belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. 3-(4-Methylpent-3-en-1-yl)-6-[5-(2-oxo-2,5-dihydrofuran-3-yl)pent-2-en-2-yl]-5,6-dihydro-2H-pyran-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 51  0  0  0  0  0  0  0  0999 V2000
   -5.7932    1.7419    1.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5564    0.6916    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0593    0.6104    1.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9458   -0.2117    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4614   -0.1693    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8291   -1.4375    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -1.2957    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -2.1434   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210   -2.1028   -0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.7369   -0.1678 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8320   -0.7570   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   -1.6006    0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521   -0.0165   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    0.0024   -0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474    1.4067   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195    1.4557   -0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    0.4818   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670    0.9802   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259    2.3466   -0.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820    2.6691   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2748    3.8217   -0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179   -0.1977    1.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885   -0.2547    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853    0.5761    1.9672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4795    2.3951    2.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613    2.3667    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241    1.2984    2.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3396   -0.1805    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4864    1.5921    1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4083    0.3072    0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4493   -1.0104   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1492   -0.0891   -0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0579    0.7288    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1633   -2.2978    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0798   -1.5428    1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   -2.9162   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -2.3390   -1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   -2.9130    0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -0.0563   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121   -2.1601    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574   -2.2987    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347   -0.9763    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    0.6286   -1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156   -0.6386   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424   -0.3631   -1.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629    1.8340    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    2.0304   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372   -0.5374   -0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8992    0.7665   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7079    0.5111    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 22  1  0
 22 23  1  0
 23 24  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 23  7  1  0
 20 16  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  6
 12 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
M  END


  Mrv1533004241503082D          

 24 25  0  0  0  0            999 V2000
    0.7145   14.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   13.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   12.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   12.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   11.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   10.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   10.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   10.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    5.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    4.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    5.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376    5.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   12.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 13 23  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0323753

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC1=CCC(OC1=O)C(C)=CCCC1=CCOC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3

> <INCHI_KEY>
PRLXHEUKWIVTBJ-UHFFFAOYSA-N

> <FORMULA>
C20H26O4

> <MOLECULAR_WEIGHT>
330.424

> <EXACT_MASS>
330.183109317

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
37.91306316048424

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-2,5-dihydrofuran-3-yl)pent-2-en-2-yl]-5,6-dihydro-2H-pyran-2-one

> <ALOGPS_LOGP>
4.66

> <JCHEM_LOGP>
4.769994893

> <ALOGPS_LOGS>
-4.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.391819501892378

> <JCHEM_PKA_STRONGEST_BASIC>
-6.5710688880871535

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
96.7528

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5H-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       1.334  26.490   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  24.950   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.000  24.180   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.000  22.640   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  21.870   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  20.330   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  19.560   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  18.020   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  17.250   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000  18.020   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.000  19.560   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334  20.330   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334  15.710   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  14.940   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  13.400   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  12.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  11.090   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.580  10.185   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.104   8.720   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.564   8.720   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.088  10.185   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.377  10.661   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.667  14.940   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667  24.180   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11                                                            
CONECT   13    9   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   17   22                                                  
CONECT   22   21                                                            
CONECT   23   13                                                            
CONECT   24    2                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₆O₄

Average Mass

330.4240 Da

Monoisotopic Mass

330.18311 Da

IUPAC Name

3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-2,5-dihydrofuran-3-yl)pent-2-en-2-yl]-5,6-dihydro-2H-pyran-2-one

Traditional Name

3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5H-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC1=CCC(OC1=O)C(C)=CCCC1=CCOC1=O

InChI Identifier

InChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3

InChI Key

PRLXHEUKWIVTBJ-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Dihydropyranone
2-furanone
Dicarboxylic acid or derivatives
Pyran
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organooxygen compound
Organic oxygen 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	4.66	ALOGPS
logP	4.77	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	13.39	ChemAxon
pKa (Strongest Basic)	-6.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	96.75 m³·mol⁻¹	ChemAxon
Polarizability	37.91 Å³	ChemAxon
Number of Rings	2	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one (NP0323753)

MOL for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

3D MOL for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

3D SDF for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

3D-SDF for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

PDB for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

3D PDB for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

SMILES for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

INCHI for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

Structure for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)

3D Structure for NP0323753 (3-(4-methylpent-3-en-1-yl)-6-[5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one)