NP-MRD: Showing NP-Card for 2,7-Dideacetoxytaxinine J (NP0137993)

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Record Information

Version

2.0

Created at

2022-05-31 16:42:18 UTC

Updated at

2022-05-31 16:42:18 UTC

NP-MRD ID

NP0137993

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,7-Dideacetoxytaxinine J

Description

2,7-Dideacetoxytaxinine J belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-Abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] Propellane ring system. Based on a literature review very few articles have been published on 2,7-Dideacetoxytaxinine J.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652305312218422D          

 51 54  0  0  1  0            999 V2000
    8.5461    1.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652305312218422D          

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    8.0793    4.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    4.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4826    4.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382    3.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0143    3.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1428    1.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2985    0.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634    1.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    1.2207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5839    2.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8952    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713   -0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919    0.1410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7373   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3363    0.9512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2812    1.7743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109    1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    1.3088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7628    2.1336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975    0.8606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7491    0.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    1.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473    1.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5576    2.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067    2.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449   -0.6424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6969   -1.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587   -1.4461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617   -2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508   -1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -2.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9942   -0.5374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9156    0.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116   -1.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365   -1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6442   -0.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6539   -1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3216    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9601    1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    2.3012    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  6  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 35 41  1  0  0  0  0
 18 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  6  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 34 47  1  0  0  0  0
 23 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 20 50  1  0  0  0  0
 14 50  1  0  0  0  0
 50 51  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0137993

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(=C(\[H])C1=CC=CC=C1)C(=O)O[C@@]1([H])CC[C@]2(C)[C@]([H])(C[C@]3([H])C[C@]([H])(OC(C)=O)C(C)=C([C@@]([H])(OC(C)=O)[C@]2([H])OC(C)=O)C3(C)C)C1=C

> <INCHI_IDENTIFIER>
InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3/b15-14+/t26-,27-,28+,29+,32-,33+,35-/m1/s1

> <INCHI_KEY>
RIVHKUMNQRHVLQ-WPPRULKUSA-N

> <FORMULA>
C35H44O8

> <MOLECULAR_WEIGHT>
592.729

> <EXACT_MASS>
592.303618377

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
64.88435499056737

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,5S,8R,9R,10R,13S)-9,10,13-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

> <JCHEM_LOGP>
5.520985908

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.35734873679678

> <JCHEM_POLAR_SURFACE_AREA>
105.20000000000002

> <JCHEM_REFRACTIVITY>
160.9341

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,5S,8R,9R,10R,13S)-9,10,13-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 31-MAY-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   31-MAY-22         0                                  
HETATM    1  H   UNK     0      15.953   3.285   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      14.498   3.790   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.207   5.302   0.000  0.00  0.00           C+0
HETATM    4  H   UNK     0      12.752   5.807   0.000  0.00  0.00           H+0
HETATM    5  C   UNK     0      15.372   6.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.081   7.822   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.246   8.830   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.701   8.325   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.991   6.813   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.827   5.805   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.333   2.782   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.624   1.269   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      11.878   3.286   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.714   2.279   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0      10.423   3.791   0.000  0.00  0.00           H+0
HETATM   16  C   UNK     0      11.004   0.766   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.840  -0.241   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.385   0.263   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.843  -1.207   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.094   1.775   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       7.992   3.312   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       6.740   2.662   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.125   2.443   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0       5.157   3.983   0.000  0.00  0.00           H+0
HETATM   25  C   UNK     0       3.533   2.727   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.422   1.606   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0       1.398   0.456   0.000  0.00  0.00           H+0
HETATM   28  O   UNK     0       0.920   1.945   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.462   3.415   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.041   3.754   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.506   4.547   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.945   0.118   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.896  -1.009   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.505  -0.309   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.870  -1.199   0.000  0.00  0.00           C+0
HETATM   36  H   UNK     0       6.901  -2.344   0.000  0.00  0.00           H+0
HETATM   37  O   UNK     0       5.523  -2.699   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.648  -3.750   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.122  -3.301   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       6.301  -5.251   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       7.456  -1.003   0.000  0.00  0.00           C+0
HETATM   42  H   UNK     0       7.309   0.530   0.000  0.00  0.00           H+0
HETATM   43  O   UNK     0       8.235  -2.332   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       9.775  -2.321   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.536  -0.982   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      10.554  -3.650   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       4.937   1.040   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       6.200   0.159   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       6.456   1.294   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       9.259   2.783   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       8.968   4.296   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5                                                       
CONECT   11    2   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16   50                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   41                                             
CONECT   19   18                                                            
CONECT   20   18   21   22   50                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25   47                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28   32                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   47                                                  
CONECT   35   34   36   37   41                                             
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   35   18   42   43                                             
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47   34   23   48   49                                             
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   20   14   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₄O₈

Average Mass

592.7290 Da

Monoisotopic Mass

592.30362 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

115810-14-5

SMILES

[H]\C(=C(\[H])C1=CC=CC=C1)C(=O)O[C@@]1([H])CC[C@]2(C)[C@]([H])(C[C@]3([H])C[C@]([H])(OC(C)=O)C(C)=C([C@@]([H])(OC(C)=O)[C@]2([H])OC(C)=O)C3(C)C)C1=C

InChI Identifier

InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3/b15-14+/t26-,27-,28+,29+,32-,33+,35-/m1/s1

InChI Key

RIVHKUMNQRHVLQ-WPPRULKUSA-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 taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-Abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] Propellane ring system.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Taxanes and derivatives

Alternative Parents

Substituents

Taxane diterpenoid
Tetracarboxylic acid or derivatives
Cinnamic acid or derivatives
Cinnamic acid ester
Styrene
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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

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

23208426

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44351931

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 2,7-Dideacetoxytaxinine J (NP0137993)

MOL for NP0137993 (2,7-Dideacetoxytaxinine J)

3D MOL for NP0137993 (2,7-Dideacetoxytaxinine J)

3D SDF for NP0137993 (2,7-Dideacetoxytaxinine J)

3D-SDF for NP0137993 (2,7-Dideacetoxytaxinine J)

PDB for NP0137993 (2,7-Dideacetoxytaxinine J)

3D PDB for NP0137993 (2,7-Dideacetoxytaxinine J)

SMILES for NP0137993 (2,7-Dideacetoxytaxinine J)

INCHI for NP0137993 (2,7-Dideacetoxytaxinine J)

Structure for NP0137993 (2,7-Dideacetoxytaxinine J)

3D Structure for NP0137993 (2,7-Dideacetoxytaxinine J)