NP-MRD: Showing NP-Card for Chevalone E (NP0013395)

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Record Information

Version

2.0

Created at

2021-01-05 22:46:23 UTC

Updated at

2021-07-15 17:14:22 UTC

NP-MRD ID

NP0013395

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Chevalone E

Provided By

NPAtlas

Description

Chevalone E is found in Aspergillus. Chevalone E was first documented in 2014 (PMID: 25317534). Based on a literature review very few articles have been published on 18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]Docosa-4(9),6-dien-5-one.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242119363D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306242119363D          

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M  END
> <DATABASE_ID>
NP0013395

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]4([H])C([H])([H])C5=C(OC(=C([H])C5=O)C([H])([H])[H])O[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C1(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C26H38O4/c1-15-13-17(27)16-14-20-25(5)10-7-18-23(2,3)21(28)9-11-24(18,4)19(25)8-12-26(20,6)30-22(16)29-15/h13,18-21,28H,7-12,14H2,1-6H3/t18-,19-,20-,21+,24-,25+,26+/m0/s1

> <INCHI_KEY>
PSHUZQHBLAPAMD-UHFFFAOYSA-N

> <FORMULA>
C26H38O4

> <MOLECULAR_WEIGHT>
414.586

> <EXACT_MASS>
414.277009704

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
48.01984934229905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,11R,14S,15R,18R,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),6-dien-5-one

> <ALOGPS_LOGP>
4.77

> <JCHEM_LOGP>
4.929385801333334

> <ALOGPS_LOGS>
-5.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.489433390646354

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8350880241239375

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
128.3456

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.09e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,11R,14S,15R,18R,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),6-dien-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

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  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
 11 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  1
 16 43  1  0
 16 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  6
 21 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  1
 24 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 28 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  6
 30 67  1  0
 30 68  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       7.483   0.532   1.105  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.153  -0.011   0.716  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.925  -1.370   0.786  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.688  -1.921   0.430  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.516  -3.161   0.506  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.695  -1.061   0.003  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.985   0.269  -0.043  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.163   0.745   0.302  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.952   1.117  -0.483  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.029   0.525  -1.400  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.785   0.041  -2.647  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.097   1.593  -1.844  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.339   1.116  -1.620  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.461   0.851  -0.120  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.347  -0.331   0.265  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.125  -0.024   1.554  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.408  -1.590   0.518  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.744  -1.409   1.158  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.532  -0.464   0.290  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.976  -0.460   0.579  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.307  -1.356   1.784  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.764  -1.087  -0.583  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.592   0.870   0.851  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.978   0.741   0.587  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.091   1.999   0.038  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.708   1.806  -0.530  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.866   0.886   0.366  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.898   1.488   1.742  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.373  -0.675  -0.809  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.388  -1.658  -0.373  0.00  0.00           C+0
HETATM   31  H   UNK     0       8.000  -0.215   1.734  0.00  0.00           H+0
HETATM   32  H   UNK     0       7.431   1.529   1.558  0.00  0.00           H+0
HETATM   33  H   UNK     0       8.136   0.647   0.192  0.00  0.00           H+0
HETATM   34  H   UNK     0       6.690  -2.057   1.118  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.056  -0.051  -3.478  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.521   0.860  -2.870  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.339  -0.879  -2.438  0.00  0.00           H+0
HETATM   38  H   UNK     0       1.208   1.855  -2.925  0.00  0.00           H+0
HETATM   39  H   UNK     0       1.185   2.539  -1.241  0.00  0.00           H+0
HETATM   40  H   UNK     0      -0.595   0.247  -2.224  0.00  0.00           H+0
HETATM   41  H   UNK     0      -0.960   1.959  -1.947  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.051   1.760   0.326  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.364  -0.182   2.374  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.457   1.017   1.595  0.00  0.00           H+0
HETATM   45  H   UNK     0       1.928  -0.735   1.735  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.188  -2.251   1.213  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.548  -2.171  -0.427  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.652  -1.106   2.197  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.235  -2.424   1.167  0.00  0.00           H+0
HETATM   50  H   UNK     0      -2.369  -0.818  -0.771  0.00  0.00           H+0
HETATM   51  H   UNK     0      -4.251  -2.424   1.498  0.00  0.00           H+0
HETATM   52  H   UNK     0      -3.660  -1.157   2.636  0.00  0.00           H+0
HETATM   53  H   UNK     0      -5.355  -1.084   2.089  0.00  0.00           H+0
HETATM   54  H   UNK     0      -5.739  -1.465  -0.205  0.00  0.00           H+0
HETATM   55  H   UNK     0      -4.140  -1.918  -0.979  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.896  -0.330  -1.382  0.00  0.00           H+0
HETATM   57  H   UNK     0      -4.539   1.103   1.940  0.00  0.00           H+0
HETATM   58  H   UNK     0      -6.513   1.301   1.201  0.00  0.00           H+0
HETATM   59  H   UNK     0      -4.137   2.931   0.645  0.00  0.00           H+0
HETATM   60  H   UNK     0      -4.778   2.200  -0.836  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.824   1.278  -1.490  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.244   2.803  -0.606  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.531   2.408   1.805  0.00  0.00           H+0
HETATM   64  H   UNK     0      -0.871   1.847   2.046  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.231   0.821   2.531  0.00  0.00           H+0
HETATM   66  H   UNK     0       0.769  -1.152  -1.637  0.00  0.00           H+0
HETATM   67  H   UNK     0       2.084  -2.319   0.461  0.00  0.00           H+0
HETATM   68  H   UNK     0       2.622  -2.365  -1.224  0.00  0.00           H+0
CONECT    1    2   31   32   33                                             
CONECT    2    1    3    8                                                  
CONECT    3    2    4   34                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   30                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10                                                       
CONECT   10    9   11   12   29                                             
CONECT   11   10   35   36   37                                             
CONECT   12   10   13   38   39                                             
CONECT   13   12   14   40   41                                             
CONECT   14   13   15   27   42                                             
CONECT   15   14   16   17   29                                             
CONECT   16   15   43   44   45                                             
CONECT   17   15   18   46   47                                             
CONECT   18   17   19   48   49                                             
CONECT   19   18   20   27   50                                             
CONECT   20   19   21   22   23                                             
CONECT   21   20   51   52   53                                             
CONECT   22   20   54   55   56                                             
CONECT   23   20   24   25   57                                             
CONECT   24   23   58                                                       
CONECT   25   23   26   59   60                                             
CONECT   26   25   27   61   62                                             
CONECT   27   26   28   14   19                                             
CONECT   28   27   63   64   65                                             
CONECT   29   15   30   10   66                                             
CONECT   30   29    6   67   68                                             
CONECT   31    1                                                            
CONECT   32    1                                                            
CONECT   33    1                                                            
CONECT   34    3                                                            
CONECT   35   11                                                            
CONECT   36   11                                                            
CONECT   37   11                                                            
CONECT   38   12                                                            
CONECT   39   12                                                            
CONECT   40   13                                                            
CONECT   41   13                                                            
CONECT   42   14                                                            
CONECT   43   16                                                            
CONECT   44   16                                                            
CONECT   45   16                                                            
CONECT   46   17                                                            
CONECT   47   17                                                            
CONECT   48   18                                                            
CONECT   49   18                                                            
CONECT   50   19                                                            
CONECT   51   21                                                            
CONECT   52   21                                                            
CONECT   53   21                                                            
CONECT   54   22                                                            
CONECT   55   22                                                            
CONECT   56   22                                                            
CONECT   57   23                                                            
CONECT   58   24                                                            
CONECT   59   25                                                            
CONECT   60   25                                                            
CONECT   61   26                                                            
CONECT   62   26                                                            
CONECT   63   28                                                            
CONECT   64   28                                                            
CONECT   65   28                                                            
CONECT   66   29                                                            
CONECT   67   30                                                            
CONECT   68   30                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  144    0
END

RDKit          3D

68 72  0  0  0  0  0  0  0  0999 V2000
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    2.0294    0.5252   -1.3998 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7848    0.0406   -2.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973    1.5935   -1.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393    1.1159   -1.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614    0.8512   -0.1202 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3469   -0.3314    0.2648 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3640   -0.1823    2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2349   -2.4239    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686   -0.8177   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3551   -1.0842    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7392   -1.4649   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7689   -1.1518   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0842   -2.3188    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6223   -2.3654   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
 15 29  1  0
 29 30  1  0
  8  2  1  0
 29 10  1  0
 30  6  1  0
 27 14  1  0
 27 19  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
 11 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  1
 16 43  1  0
 16 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  6
 21 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  1
 24 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 28 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  6
 30 67  1  0
 30 68  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₂₆H₃₈O₄

Average Mass

414.5860 Da

Monoisotopic Mass

414.27701 Da

IUPAC Name

(1R,2S,11R,14S,15R,18R,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),6-dien-5-one

Traditional Name

(1R,2S,11R,14S,15R,18R,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),6-dien-5-one

CAS Registry Number

Not Available

SMILES

CC1=CC(=O)C2=C(O1)OC1(C)CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1C2

InChI Identifier

InChI=1S/C26H38O4/c1-15-13-17(27)16-14-20-25(5)10-7-18-23(2,3)21(28)9-11-24(18,4)19(25)8-12-26(20,6)30-22(16)29-15/h13,18-21,28H,7-12,14H2,1-6H3

InChI Key

PSHUZQHBLAPAMD-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Aspergillus	NPAtlas	25317534

Chemical Taxonomy

Classification

Not classified

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	4.77	ALOGPS
logP	4.93	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	19.49	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	128.35 m³·mol⁻¹	ChemAxon
Polarizability	48.02 Å³	ChemAxon
Number of Rings	5	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

NPAtlas ID

NPA016726

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78444349

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139587756

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Prompanya C, Dethoup T, Bessa LJ, Pinto MM, Gales L, Costa PM, Silva AM, Kijjoa A: New isocoumarin derivatives and meroterpenoids from the marine sponge-associated fungus Aspergillus similanensis sp. nov. KUFA 0013. Mar Drugs. 2014 Oct 14;12(10):5160-73. doi: 10.3390/md12105160. [PubMed:25317534 ]

Showing NP-Card for Chevalone E (NP0013395)

MOL for NP0013395 (Chevalone E)

3D MOL for NP0013395 (Chevalone E)

3D SDF for NP0013395 (Chevalone E)

3D-SDF for NP0013395 (Chevalone E)

PDB for NP0013395 (Chevalone E)

3D PDB for NP0013395 (Chevalone E)

SMILES for NP0013395 (Chevalone E)

INCHI for NP0013395 (Chevalone E)

Structure for NP0013395 (Chevalone E)

3D Structure for NP0013395 (Chevalone E)