NP-MRD: Showing NP-Card for taxine alkaloids (NP0328543)

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Record Information

Version

1.0

Created at

2022-09-12 12:06:42 UTC

Updated at

2022-09-12 12:06:42 UTC

NP-MRD ID

NP0328543

Secondary Accession Numbers

None

Natural Product Identification

Common Name

taxine alkaloids

Description

NSC 674284 belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. taxine alkaloids is found in Taxus baccata. NSC 674284 is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171517462D          

 46 49  0  0  0  0            999 V2000
    0.4125   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2375   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END

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M  END


  Mrv1533004171517462D          

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    1.2375   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -6.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -5.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -7.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -7.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2216   -5.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2216   -5.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  4  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 14 35  1  0  0  0  0
 35 36  2  0  0  0  0
 32 37  1  0  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 31 40  1  0  0  0  0
  4 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328543

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN(C)C(C(O)C(=O)OC1CC(O)C2(C)CC1=CC(OC(C)=O)C1CC(OC(C)=O)C(C)=C(C(O)C2=O)C1(C)C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3

> <INCHI_KEY>
KOTXAHKUCAQPQA-UHFFFAOYSA-N

> <FORMULA>
C35H47NO10

> <MOLECULAR_WEIGHT>
641.758

> <EXACT_MASS>
641.319996717

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
67.6089360605744

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.0952070216666665

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.310260469283797

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.708800274760248

> <JCHEM_PKA_STRONGEST_BASIC>
7.328525505563819

> <JCHEM_POLAR_SURFACE_AREA>
159.9

> <JCHEM_REFRACTIVITY>
168.4595

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       0.770  -9.034   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -0.000  -7.700   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -1.540  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.770  -6.366   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.310  -6.366   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.080  -5.033   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.080  -7.700   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.310  -9.034   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.620  -7.700   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.390  -9.034   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.620 -10.367   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.390 -11.701   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.620 -13.035   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.930 -11.701   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.160 -13.035   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.700 -10.367   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.930  -9.034   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.700  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.240  -7.700   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.010  -6.366   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.240  -5.033   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.700  -5.033   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.010  -3.699   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.010  -9.034   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.550  -9.034   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.320 -10.367   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.860 -10.367   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      14.630  -9.034   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.860  -7.700   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      16.170  -9.034   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.550 -11.701   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.010 -11.701   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.240 -13.035   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.010 -14.368   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       7.700 -13.035   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.930 -14.368   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.240 -10.367   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.880 -11.090   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.880  -9.644   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.320 -13.035   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.000  -5.033   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.540  -5.033   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.310  -3.699   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.540  -2.365   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.000  -2.365   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.770  -3.699   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   41                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   35                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   37                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   40                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   14   36                                                  
CONECT   36   35                                                            
CONECT   37   32   24   38   39                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   31                                                            
CONECT   41    4   42   46                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   41                                                       
MASTER        0    0    0    0    0    0    0    0   46    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₇NO₁₀

Average Mass

641.7580 Da

Monoisotopic Mass

641.32000 Da

IUPAC Name

2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Traditional Name

2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

CAS Registry Number

Not Available

SMILES

CN(C)C(C(O)C(=O)OC1CC(O)C2(C)CC1=CC(OC(C)=O)C1CC(OC(C)=O)C(C)=C(C(O)C2=O)C1(C)C)C1=CC=CC=C1

InChI Identifier

InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3

InChI Key

KOTXAHKUCAQPQA-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

Species Name	Source	Reference
Taxus baccata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Fatty acid ester
Aralkylamine
Monocyclic benzene moiety
Monosaccharide
Fatty acyl
Benzenoid
Cyclic alcohol
Amino acid or derivatives
Carboxylic acid ester
Ketone
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Organic oxide
Alcohol
Organopnictogen compound
Organic oxygen compound
Amine
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
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
logP	2.2	ALOGPS
logP	2.1	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	11.71	ChemAxon
pKa (Strongest Basic)	7.33	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	159.9 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	168.46 m³·mol⁻¹	ChemAxon
Polarizability	67.61 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	Yes	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

495957

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for taxine alkaloids (NP0328543)

MOL for NP0328543 (taxine alkaloids)

3D MOL for NP0328543 (taxine alkaloids)

3D SDF for NP0328543 (taxine alkaloids)

3D-SDF for NP0328543 (taxine alkaloids)

PDB for NP0328543 (taxine alkaloids)

3D PDB for NP0328543 (taxine alkaloids)

SMILES for NP0328543 (taxine alkaloids)

INCHI for NP0328543 (taxine alkaloids)

Structure for NP0328543 (taxine alkaloids)

3D Structure for NP0328543 (taxine alkaloids)