NP-MRD: Showing NP-Card for (-)-Taxuspinanane I (NP0079652)

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Record Information

Version

2.0

Created at

2022-04-29 00:39:30 UTC

Updated at

2022-04-29 00:39:30 UTC

NP-MRD ID

NP0079652

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Taxuspinanane I

Description

Taxuspinanane I 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. (-)-Taxuspinanane I is found in Taxus cuspidata . Based on a literature review very few articles have been published on Taxuspinanane I.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292202392D          

 63 69  0  0  1  0            999 V2000
    6.5771    1.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5789    3.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8126    3.0108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1373    2.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3208    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6359    1.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    3.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    2.8597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5022    1.3837    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1845    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976    0.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255    1.0307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
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  1 15  1  0  0  0  0
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  2 63  1  0  0  0  0
M  END

     RDKit          3D

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 57107  1  0
M  END


  Mrv1652304292202392D          

 63 69  0  0  1  0            999 V2000
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    7.3171    4.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1578    7.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8637    8.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5810    8.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8751    6.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    5.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    5.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 41  1  6  0  0  0
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 56 61  1  0  0  0  0
 44 62  1  1  0  0  0
  2 63  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0079652

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN([C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1

> <INCHI_KEY>
UATZAEJDBCHOCI-JBTWBBNCSA-N

> <FORMULA>
C48H53NO14

> <MOLECULAR_WEIGHT>
867.945

> <EXACT_MASS>
867.346605391

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
87.74902062133334

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-(N-methyl-1-phenylformamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate

> <ALOGPS_LOGP>
3.52

> <JCHEM_LOGP>
3.7625160856666646

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.992144665343831

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.364036213191843

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3458005042108687

> <JCHEM_POLAR_SURFACE_AREA>
212.49999999999997

> <JCHEM_REFRACTIVITY>
223.1911999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.52e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-(N-methyl-1-phenylformamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      12.277   3.187   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.634   4.068   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.680   5.645   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.281   6.375   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.850   5.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.456   4.341   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.932   4.121   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.520   3.118   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.352   7.077   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.245   5.338   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.221   4.112   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.404   2.583   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.678   1.629   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.329   0.129   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      11.248   1.924   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.035   0.600   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      13.575   0.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.327   1.964   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      14.362  -0.703   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.171   1.660   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.756   2.266   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.573   3.795   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.805   4.718   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.882   5.951   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.649   5.027   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.757   5.929   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.184   7.358   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.660   7.577   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.136   8.569   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       7.354   0.131   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.404   1.043   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.474   6.671   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       9.243   8.005   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.783   8.007   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       8.471   9.338   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.931   9.337   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.160  10.670   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.929  12.004   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.469  12.006   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.240  10.673   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      15.008   6.424   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      14.997   7.964   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.659   8.725   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      16.326   8.744   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.315  10.283   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      17.643  11.063   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      17.633  12.603   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      16.294  13.363   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      18.961  13.382   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      18.951  14.922   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      20.279  15.701   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      21.618  14.940   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      21.628  13.400   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      20.300  12.621   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      18.982  10.302   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      14.976  11.044   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      13.648  10.265   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      12.309  11.026   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      12.298  12.566   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      13.627  13.345   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      14.966  12.584   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      17.665   7.983   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0      14.976   3.313   0.000  0.00  0.00           C+0
CONECT    1    2    6   15                                                  
CONECT    2    1    3   63                                                  
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9   10                                             
CONECT    6    5    1    7    8                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5                                                            
CONECT   10    5   11   32                                                  
CONECT   11   10   12   23                                                  
CONECT   12   11   13   20   31                                             
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    1   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   12   21   30                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   11   24   26                                             
CONECT   24   23   25                                                       
CONECT   25   24   22                                                       
CONECT   26   23   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   20                                                            
CONECT   31   12                                                            
CONECT   32   10   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   35                                                       
CONECT   41    3   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   62                                                  
CONECT   45   44   46   56                                                  
CONECT   46   45   47   55                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   54                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   49                                                       
CONECT   55   46                                                            
CONECT   56   45   57   61                                                  
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   56                                                       
CONECT   62   44                                                            
CONECT   63    2                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  138    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₈H₅₃NO₁₄

Average Mass

867.9450 Da

Monoisotopic Mass

867.34661 Da

IUPAC Name

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-(N-methyl-1-phenylformamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CN([C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1

InChI Key

UATZAEJDBCHOCI-JBTWBBNCSA-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
Taxus cuspidata	Plant	KNApSAcK

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
Benzoate ester
Benzoic acid or derivatives
Benzamide
Benzoyl
Alpha-acyloxy ketone
Fatty acid ester
Fatty acyl
Benzenoid
Monosaccharide
Monocyclic benzene moiety
Tertiary carboxylic acid amide
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Oxetane
Ketone
Carboxylic acid ester
Carboxamide group
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	3.76	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	10.36	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	212.5 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	223.19 m³·mol⁻¹	ChemAxon
Polarizability	87.75 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	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

C00044346

Chemspider ID

8277666

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10102134

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Taxuspinanane I (NP0079652)

MOL for NP0079652 ((-)-Taxuspinanane I)

3D MOL for NP0079652 ((-)-Taxuspinanane I)

3D SDF for NP0079652 ((-)-Taxuspinanane I)

3D-SDF for NP0079652 ((-)-Taxuspinanane I)

PDB for NP0079652 ((-)-Taxuspinanane I)

3D PDB for NP0079652 ((-)-Taxuspinanane I)

SMILES for NP0079652 ((-)-Taxuspinanane I)

INCHI for NP0079652 ((-)-Taxuspinanane I)

Structure for NP0079652 ((-)-Taxuspinanane I)

3D Structure for NP0079652 ((-)-Taxuspinanane I)