NP-MRD: Showing NP-Card for Erythrolide P (NP0024498)

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Record Information

Version

2.0

Created at

2021-06-19 16:51:59 UTC

Updated at

2021-06-29 23:48:53 UTC

NP-MRD ID

NP0024498

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Erythrolide P

Provided By

JEOL Database JEOL Logo

Description

Erythrolide P is found in Erythropodium caribaeorum. Erythrolide P was first documented in 2002 (Banjoo, D., et al.). Based on a literature review very few articles have been published on (1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]Octadecan-17-yl acetate.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192118523D          

 67 70  0  0  0  0            999 V2000
    1.8584   -5.0693    1.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -3.7684    1.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -2.7221    2.7410 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6400   -1.9416    2.7458 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7688   -0.5238    2.1493 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4995   -0.5871    0.9209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -1.1118   -0.2404 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4295   -0.4011   -1.4929 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6687    0.4642   -1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -1.5177   -2.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652306192118523D          

 67 70  0  0  0  0            999 V2000
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    2.0197   -3.7684    1.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8440   -1.1118   -0.2404 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4295   -0.4011   -1.4929 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6687    0.4642   -1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8947   -2.5580    0.1072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4114    2.3783    2.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    1.7198    3.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707    4.5848    2.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215    4.2017    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345    2.9605    1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -1.2783    2.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.2960    2.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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  7  6  1  1  0  0  0
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  2  3  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0024498

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2(C([H])([H])[H])[C@]3([H])O[C@@]4([C@@]([H])(OC(=O)[C@]4([H])C([H])([H])[H])[C@@]([H])(Cl)C(=C([H])[H])C([H])([H])C3([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])[C@@]1(O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C24H33ClO9/c1-10-7-8-15-22(5)16(31-12(3)26)9-14(28)23(6,30)18(22)20(32-13(4)27)24(34-15)11(2)21(29)33-19(24)17(10)25/h11,14-20,28,30H,1,7-9H2,2-6H3/t11-,14+,15+,16-,17-,18+,19-,20+,22-,23+,24-/m0/s1

> <INCHI_KEY>
NSTYJZPGFOTVPM-UNYGJRRVSA-N

> <FORMULA>
C24H33ClO9

> <MOLECULAR_WEIGHT>
500.97

> <EXACT_MASS>
500.1813103

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
49.002033955901915

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadecan-17-yl acetate

> <ALOGPS_LOGP>
2.02

> <JCHEM_LOGP>
0.877852048999999

> <ALOGPS_LOGS>
-3.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.914876942834695

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.507595409723365

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2749176777888094

> <JCHEM_POLAR_SURFACE_AREA>
128.59

> <JCHEM_REFRACTIVITY>
116.98880000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.53e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadecan-17-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 67 70  0  0  0  0  0  0  0  0999 V2000
    1.8584   -5.0693    1.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4295   -0.4011   -1.4929 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6687    0.4642   -1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8947   -2.5580    0.1072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.6477    3.7979    1.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3349   -0.4826    3.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 39  1  0
  4 40  1  0
 14 47  1  6
  3 37  1  0
  3 38  1  0
 13 46  1  6
  8 42  1  6
  9 43  1  0
  9 44  1  0
  9 45  1  0
 23 53  1  0
 23 54  1  0
 23 55  1  0
 34 65  1  0
 34 66  1  0
 34 67  1  0
  1 35  1  0
  1 36  1  0
 19 49  1  0
 19 50  1  0
 19 51  1  0
 31 62  1  0
 31 63  1  0
 31 64  1  0
 26 58  1  0
 24 56  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0       1.858  -5.069   1.962  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.020  -3.768   1.650  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.959  -2.722   2.741  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.640  -1.942   2.746  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.769  -0.524   2.149  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.500  -0.587   0.921  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.844  -1.112  -0.240  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.430  -0.401  -1.493  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.669   0.464  -1.300  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.674  -1.518  -2.462  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.071  -1.383  -3.609  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.346  -2.720  -1.925  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.144  -2.602  -0.504  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.297  -3.347   0.216  0.00  0.00           C+0
HETATM   15 Cl   UNK     0       3.895  -2.558   0.107  0.00  0.00          Cl+0
HETATM   16  C   UNK     0      -0.716  -0.872  -0.184  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.288  -0.926  -1.500  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.077  -1.987  -1.808  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.607  -1.846  -3.201  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.314  -2.928  -1.064  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.921   0.496   0.503  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.190   1.331   0.196  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.528   0.656   0.495  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.217   1.589  -1.226  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.072   2.727   0.882  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.150   3.518   0.103  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.586   2.694   2.337  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.353   1.787   2.580  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.809   2.356   1.941  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.458   3.346   2.608  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.648   3.798   1.819  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.124   3.807   3.689  0.00  0.00           O+0
HETATM   33  C   UNK     0      -0.565   0.338   2.024  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.679  -0.319   2.879  0.00  0.00           C+0
HETATM   35  H   UNK     0       1.912  -5.853   1.211  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.674  -5.395   2.982  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.826  -2.054   2.699  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.046  -3.225   3.715  0.00  0.00           H+0
HETATM   39  H   UNK     0      -0.131  -2.522   2.229  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.320  -1.853   3.791  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.434   0.011   2.840  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.678   0.246  -1.960  0.00  0.00           H+0
HETATM   43  H   UNK     0       2.972   0.911  -2.253  0.00  0.00           H+0
HETATM   44  H   UNK     0       3.528  -0.096  -0.932  0.00  0.00           H+0
HETATM   45  H   UNK     0       2.468   1.285  -0.604  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.242  -3.191  -0.302  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.457  -4.263  -0.368  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.183  -1.632   0.450  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.194  -0.927  -3.282  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.778  -1.837  -3.913  0.00  0.00           H+0
HETATM   51  H   UNK     0      -3.257  -2.695  -3.429  0.00  0.00           H+0
HETATM   52  H   UNK     0      -0.133   1.123   0.060  0.00  0.00           H+0
HETATM   53  H   UNK     0      -4.325   1.094  -0.119  0.00  0.00           H+0
HETATM   54  H   UNK     0      -3.506  -0.410   0.249  0.00  0.00           H+0
HETATM   55  H   UNK     0      -3.847   0.765   1.532  0.00  0.00           H+0
HETATM   56  H   UNK     0      -1.613   2.352  -1.356  0.00  0.00           H+0
HETATM   57  H   UNK     0      -3.033   3.251   0.819  0.00  0.00           H+0
HETATM   58  H   UNK     0      -1.157   4.418   0.475  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.335   3.718   2.639  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.411   2.378   2.982  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.166   1.720   3.660  0.00  0.00           H+0
HETATM   62  H   UNK     0       3.171   4.585   2.369  0.00  0.00           H+0
HETATM   63  H   UNK     0       2.321   4.202   0.857  0.00  0.00           H+0
HETATM   64  H   UNK     0       3.334   2.961   1.671  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.009  -1.278   2.471  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.569   0.296   2.990  0.00  0.00           H+0
HETATM   67  H   UNK     0      -1.335  -0.483   3.906  0.00  0.00           H+0
CONECT    1    2   35   36                                                  
CONECT    2    1   14    3                                                  
CONECT    3    2    4   37   38                                             
CONECT    4    5    3   39   40                                             
CONECT    5    4   33    6   41                                             
CONECT    6    7    5                                                       
CONECT    7   16    6   13    8                                             
CONECT    8    9    7   10   42                                             
CONECT    9    8   43   44   45                                             
CONECT   10   11    8   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   14    7   12   46                                             
CONECT   14   13    2   15   47                                             
CONECT   15   14                                                            
CONECT   16    7   17   21   48                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   49   50   51                                             
CONECT   20   18                                                            
CONECT   21   33   52   22   16                                             
CONECT   22   23   25   21   24                                             
CONECT   23   22   53   54   55                                             
CONECT   24   22   56                                                       
CONECT   25   27   22   26   57                                             
CONECT   26   25   58                                                       
CONECT   27   28   25   59   60                                             
CONECT   28   27   29   33   61                                             
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30   62   63   64                                             
CONECT   32   30                                                            
CONECT   33   21   34    5   28                                             
CONECT   34   33   65   66   67                                             
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    3                                                            
CONECT   38    3                                                            
CONECT   39    4                                                            
CONECT   40    4                                                            
CONECT   41    5                                                            
CONECT   42    8                                                            
CONECT   43    9                                                            
CONECT   44    9                                                            
CONECT   45    9                                                            
CONECT   46   13                                                            
CONECT   47   14                                                            
CONECT   48   16                                                            
CONECT   49   19                                                            
CONECT   50   19                                                            
CONECT   51   19                                                            
CONECT   52   21                                                            
CONECT   53   23                                                            
CONECT   54   23                                                            
CONECT   55   23                                                            
CONECT   56   24                                                            
CONECT   57   25                                                            
CONECT   58   26                                                            
CONECT   59   27                                                            
CONECT   60   27                                                            
CONECT   61   28                                                            
CONECT   62   31                                                            
CONECT   63   31                                                            
CONECT   64   31                                                            
CONECT   65   34                                                            
CONECT   66   34                                                            
CONECT   67   34                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  140    0
END

RDKit          3D

67 70  0  0  0  0  0  0  0  0999 V2000
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 31 63  1  0
 31 64  1  0
 26 58  1  0
 24 56  1  0
M  END

View in JSmol

Synonyms

Value	Source
(1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(Acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0,.0,]octadecan-17-yl acetic acid	Generator

Chemical Formula

C₂₄H₃₃ClO₉

Average Mass

500.9700 Da

Monoisotopic Mass

500.18131 Da

IUPAC Name

(1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadecan-17-yl acetate

Traditional Name

(1R,2R,5R,6S,10R,11S,12S,14R,15S,16S,17R)-12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadecan-17-yl acetate

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2(C([H])([H])[H])[C@]3([H])O[C@@]4([C@@]([H])(OC(=O)[C@]4([H])C([H])([H])[H])[C@@]([H])(Cl)C(=C([H])[H])C([H])([H])C3([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])[C@@]1(O[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C24H33ClO9/c1-10-7-8-15-22(5)16(31-12(3)26)9-14(28)23(6,30)18(22)20(32-13(4)27)24(34-15)11(2)21(29)33-19(24)17(10)25/h11,14-20,28,30H,1,7-9H2,2-6H3/t11-,14+,15+,16-,17-,18+,19-,20+,22-,23+,24-/m0/s1

InChI Key

NSTYJZPGFOTVPM-UNYGJRRVSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Erythropodium caribaeorum	JEOL database	Banjoo, D., et al, J. Nat. Prod. 65, 314 (2002)

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	2.02	ALOGPS
logP	0.88	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	13.51	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	128.59 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	116.99 m³·mol⁻¹	ChemAxon
Polarizability	49 Å³	ChemAxon
Number of Rings	4	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9310008

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11134890

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Banjoo, D., et al. (2002). Banjoo, D., et al, J. Nat. Prod. 65, 314 (2002). J. Nat. Prod..

Showing NP-Card for Erythrolide P (NP0024498)

MOL for NP0024498 (Erythrolide P)

3D MOL for NP0024498 (Erythrolide P)

3D SDF for NP0024498 (Erythrolide P)

3D-SDF for NP0024498 (Erythrolide P)

PDB for NP0024498 (Erythrolide P)

3D PDB for NP0024498 (Erythrolide P)

SMILES for NP0024498 (Erythrolide P)

INCHI for NP0024498 (Erythrolide P)

Structure for NP0024498 (Erythrolide P)

3D Structure for NP0024498 (Erythrolide P)