NP-MRD: Showing NP-Card for Erabulenol B (NP0023807)

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Record Information

Version

2.0

Created at

2021-01-06 08:51:04 UTC

Updated at

2021-07-15 17:42:45 UTC

NP-MRD ID

NP0023807

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Erabulenol B

Provided By

NPAtlas

Description

Erabulenol B is found in Penicillium. Erabulenol B was first documented in 1998 (PMID: 9727387). Based on a literature review very few articles have been published on Erabulenol B.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242120443D          

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M  END

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M  END


  Mrv1652306242120443D          

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M  END
> <DATABASE_ID>
NP0023807

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(=O)[C@@]3(O[H])C(O[C@]([H])(C([H])([H])[H])C3(C([H])([H])[H])C([H])([H])[H])=C3C2=C1C(=O)C(=C3C([H])([H])[H])C([H])([H])C1=C(O[H])C(=C([H])C(C(=O)C([H])([H])[H])=C1O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C30H30O10/c1-10-8-15(12(3)31)22(33)16(21(10)32)9-14-11(2)17-18-19(23(14)34)24(35)26(39-7)25(36)20(18)27(37)30(38)28(17)40-13(4)29(30,5)6/h8,13,32-33,35-36,38H,9H2,1-7H3/t13-,30-/m1/s1

> <INCHI_KEY>
RRMVDSDCIMVCIP-UHFFFAOYSA-N

> <FORMULA>
C30H30O10

> <MOLECULAR_WEIGHT>
550.56

> <EXACT_MASS>
550.183897166

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
57.10681517177713

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(12R,14S)-7-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4,14-trihydroxy-3-methoxy-8,12,13,13-tetramethyl-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9-pentaene-6,15-dione

> <ALOGPS_LOGP>
3.52

> <JCHEM_LOGP>
4.594895582333333

> <ALOGPS_LOGS>
-4.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.925259736742743

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.1684689725913335

> <JCHEM_PKA_STRONGEST_BASIC>
-4.404144681305929

> <JCHEM_POLAR_SURFACE_AREA>
170.81999999999996

> <JCHEM_REFRACTIVITY>
146.6319

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.57e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(12R,14S)-7-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4,14-trihydroxy-3-methoxy-8,12,13,13-tetramethyl-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9-pentaene-6,15-dione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 70 74  0  0  0  0  0  0  0  0999 V2000
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   -5.9939   -1.2756    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3128   -2.6617    1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6353   -2.9259   -2.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6119   -1.5495   -1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0504   -3.1232   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  6
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 17 18  1  0
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 19 20  1  0
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 31 32  1  0
 19 33  1  0
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 15 35  1  0
 35 36  1  0
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 38 13  1  0
 33  6  1  0
 16  7  1  0
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  5 44  1  0
 10 45  1  0
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 40 68  1  0
 40 69  1  0
 40 70  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      -1.882   5.659  -1.037  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.128   4.843   0.066  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.901   3.478   0.141  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.662   3.006   0.601  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.254   3.930   0.954  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.403   1.654   0.683  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.388   0.772   0.307  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.607   1.237  -0.139  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.895   2.596  -0.239  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.093   3.042  -0.689  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.650   0.241  -0.354  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.862   0.653  -0.244  0.00  0.00           O+0
HETATM   13  C   UNK     0      -3.320  -1.117  -0.666  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.208  -1.269  -2.071  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.006  -1.532  -0.135  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.121  -0.667   0.302  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.201  -1.207   0.736  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.346  -2.675   0.763  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.151  -0.345   1.124  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.446  -0.901   1.538  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.638  -0.192   1.057  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.263   0.743   1.846  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.872   1.011   3.150  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.351   1.478   1.370  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.027   2.496   2.239  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.817   1.273   0.095  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.195   0.327  -0.720  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.696   0.142  -2.049  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.068  -0.834  -2.965  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.675   0.804  -2.458  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.127  -0.381  -0.229  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.519  -1.306  -1.026  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.872   1.084   1.100  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.759   1.894   1.448  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.011  -2.953  -0.234  0.00  0.00           O+0
HETATM   36  C   UNK     0      -3.350  -3.373   0.121  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.668  -4.566  -0.738  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.225  -2.194  -0.110  0.00  0.00           C+0
HETATM   39  C   UNK     0      -5.020  -1.754   1.087  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.198  -2.528  -1.246  0.00  0.00           C+0
HETATM   41  H   UNK     0      -1.275   6.545  -0.692  0.00  0.00           H+0
HETATM   42  H   UNK     0      -1.326   5.183  -1.859  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.832   6.114  -1.445  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.139   3.859   1.289  0.00  0.00           H+0
HETATM   45  H   UNK     0      -4.918   2.687  -1.013  0.00  0.00           H+0
HETATM   46  H   UNK     0      -3.809  -0.601  -2.464  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.546  -3.061   1.376  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.285  -3.082  -0.263  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.194  -3.067   1.311  0.00  0.00           H+0
HETATM   50  H   UNK     0       2.410  -0.940   2.662  0.00  0.00           H+0
HETATM   51  H   UNK     0       2.570  -1.947   1.208  0.00  0.00           H+0
HETATM   52  H   UNK     0       4.354   1.702   3.697  0.00  0.00           H+0
HETATM   53  H   UNK     0       5.294   3.185   2.668  0.00  0.00           H+0
HETATM   54  H   UNK     0       6.550   2.011   3.086  0.00  0.00           H+0
HETATM   55  H   UNK     0       6.724   3.098   1.616  0.00  0.00           H+0
HETATM   56  H   UNK     0       6.672   1.849  -0.280  0.00  0.00           H+0
HETATM   57  H   UNK     0       5.565  -0.778  -3.981  0.00  0.00           H+0
HETATM   58  H   UNK     0       3.986  -0.575  -3.162  0.00  0.00           H+0
HETATM   59  H   UNK     0       5.095  -1.867  -2.616  0.00  0.00           H+0
HETATM   60  H   UNK     0       2.740  -1.876  -0.785  0.00  0.00           H+0
HETATM   61  H   UNK     0      -3.357  -3.646   1.215  0.00  0.00           H+0
HETATM   62  H   UNK     0      -4.719  -4.643  -1.038  0.00  0.00           H+0
HETATM   63  H   UNK     0      -3.046  -4.601  -1.679  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.394  -5.465  -0.142  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.431  -1.120   1.786  0.00  0.00           H+0
HETATM   66  H   UNK     0      -5.994  -1.276   0.800  0.00  0.00           H+0
HETATM   67  H   UNK     0      -5.313  -2.662   1.657  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.635  -2.926  -2.108  0.00  0.00           H+0
HETATM   69  H   UNK     0      -5.612  -1.550  -1.591  0.00  0.00           H+0
HETATM   70  H   UNK     0      -6.050  -3.123  -0.914  0.00  0.00           H+0
CONECT    1    2   41   42   43                                             
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4   44                                                       
CONECT    6    4    7   33                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10    3                                                  
CONECT   10    9   45                                                       
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   38                                             
CONECT   14   13   46                                                       
CONECT   15   13   16   35                                                  
CONECT   16   15   17    7                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   47   48   49                                             
CONECT   19   17   20   33                                                  
CONECT   20   19   21   50   51                                             
CONECT   21   20   22   31                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   52                                                       
CONECT   24   22   25   26                                                  
CONECT   25   24   53   54   55                                             
CONECT   26   24   27   56                                                  
CONECT   27   26   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   57   58   59                                             
CONECT   30   28                                                            
CONECT   31   27   32   21                                                  
CONECT   32   31   60                                                       
CONECT   33   19   34    6                                                  
CONECT   34   33                                                            
CONECT   35   15   36                                                       
CONECT   36   35   37   38   61                                             
CONECT   37   36   62   63   64                                             
CONECT   38   36   39   40   13                                             
CONECT   39   38   65   66   67                                             
CONECT   40   38   68   69   70                                             
CONECT   41    1                                                            
CONECT   42    1                                                            
CONECT   43    1                                                            
CONECT   44    5                                                            
CONECT   45   10                                                            
CONECT   46   14                                                            
CONECT   47   18                                                            
CONECT   48   18                                                            
CONECT   49   18                                                            
CONECT   50   20                                                            
CONECT   51   20                                                            
CONECT   52   23                                                            
CONECT   53   25                                                            
CONECT   54   25                                                            
CONECT   55   25                                                            
CONECT   56   26                                                            
CONECT   57   29                                                            
CONECT   58   29                                                            
CONECT   59   29                                                            
CONECT   60   32                                                            
CONECT   61   36                                                            
CONECT   62   37                                                            
CONECT   63   37                                                            
CONECT   64   37                                                            
CONECT   65   39                                                            
CONECT   66   39                                                            
CONECT   67   39                                                            
CONECT   68   40                                                            
CONECT   69   40                                                            
CONECT   70   40                                                            
MASTER        0    0    0    0    0    0    0    0   70    0  148    0
END

RDKit          3D

70 74  0  0  0  0  0  0  0  0999 V2000
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   -4.0933    3.0420   -0.6885 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8617    0.6532   -0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -1.1167   -0.6661 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.0064   -1.5317   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 36 38  1  0
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 38 40  1  0
  9  3  1  0
 38 13  1  0
 33  6  1  0
 16  7  1  0
 31 21  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  5 44  1  0
 10 45  1  0
 14 46  1  0
 18 47  1  0
 18 48  1  0
 18 49  1  0
 20 50  1  0
 20 51  1  0
 23 52  1  0
 25 53  1  0
 25 54  1  0
 25 55  1  0
 26 56  1  0
 29 57  1  0
 29 58  1  0
 29 59  1  0
 32 60  1  0
 36 61  1  1
 37 62  1  0
 37 63  1  0
 37 64  1  0
 39 65  1  0
 39 66  1  0
 39 67  1  0
 40 68  1  0
 40 69  1  0
 40 70  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₃₀H₃₀O₁₀

Average Mass

550.5600 Da

Monoisotopic Mass

550.18390 Da

IUPAC Name

(12R,14S)-7-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4,14-trihydroxy-3-methoxy-8,12,13,13-tetramethyl-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9-pentaene-6,15-dione

Traditional Name

(12R,14S)-7-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4,14-trihydroxy-3-methoxy-8,12,13,13-tetramethyl-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9-pentaene-6,15-dione

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C3C(=C4OC(C)C(C)(C)C4(O)C(=O)C3=C1O)C(C)=C(CC1=C(O)C(=CC(C)=C1O)C(C)=O)C2=O

InChI Identifier

InChI=1S/C30H30O10/c1-10-8-15(12(3)31)22(33)16(21(10)32)9-14-11(2)17-18-19(23(14)34)24(35)26(39-7)25(36)20(18)27(37)30(38)28(17)40-13(4)29(30,5)6/h8,13,32-33,35-36,38H,9H2,1-7H3

InChI Key

RRMVDSDCIMVCIP-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
Penicillium	NPAtlas	9727387

Species Where Detected

Species Name	Source	Reference
Penicillium sp. FO-5637	KNApSAcK Database	22123792

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Alkyl-phenylketone
Naphthofuran
2-naphthol
Naphthalene
Phenylketone
Acetophenone
Aryl alkyl ketone
Aryl ketone
Resorcinol
P-cresol
O-cresol
Benzoyl
Anisole
Toluene
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Tetrahydrofuran
Tertiary alcohol
Ketone
Oxacycle
Polyol
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	3.52	ALOGPS
logP	4.59	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.17	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	170.82 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	146.63 m³·mol⁻¹	ChemAxon
Polarizability	57.11 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA005803

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00016073

Chemspider ID

19093953

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

135475376

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Tabata N, Tomoda H, Omura S: Erabulenols, inhibitors of cholesteryl ester transfer protein produced by Penicillium sp. FO-5637. II. Structure elucidation of erabulenols A and B. J Antibiot (Tokyo). 1998 Jul;51(7):624-8. doi: 10.7164/antibiotics.51.624. [PubMed:9727387 ]

Showing NP-Card for Erabulenol B (NP0023807)

MOL for NP0023807 (Erabulenol B)

3D MOL for NP0023807 (Erabulenol B)

3D SDF for NP0023807 (Erabulenol B)

3D-SDF for NP0023807 (Erabulenol B)

PDB for NP0023807 (Erabulenol B)

3D PDB for NP0023807 (Erabulenol B)

SMILES for NP0023807 (Erabulenol B)

INCHI for NP0023807 (Erabulenol B)

Structure for NP0023807 (Erabulenol B)

3D Structure for NP0023807 (Erabulenol B)