NP-MRD: Showing NP-Card for tricin 4'-O-guaiacylglyceryl ether (NP0026685)

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Record Information

Version

2.0

Created at

2021-06-19 18:30:45 UTC

Updated at

2021-06-29 23:52:22 UTC

NP-MRD ID

NP0026685

Secondary Accession Numbers

None

Natural Product Identification

Common Name

tricin 4'-O-guaiacylglyceryl ether

Provided By

JEOL Database JEOL Logo

Description

tricin 4'-O-guaiacylglyceryl ether is found in Sasa veitchii (Carr.) Rehder. tricin 4'-O-guaiacylglyceryl ether was first documented in 2003 (Nakajima, Y., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192120303D          

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     RDKit          3D

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M  END


  Mrv1652306192120303D          

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M  END
> <DATABASE_ID>
NP0026685

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C2=C(C(=O)C([H])=C(O2)C2=C([H])C(OC([H])([H])[H])=C(O[C@]([H])(C([H])([H])O[H])C([H])([H])C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C27H26O10/c1-33-22-7-14(4-5-18(22)30)6-17(13-28)36-27-24(34-2)8-15(9-25(27)35-3)21-12-20(32)26-19(31)10-16(29)11-23(26)37-21/h4-5,7-12,17,28-31H,6,13H2,1-3H3/t17-/m0/s1

> <INCHI_KEY>
OMSNRRNUPSTJFQ-KRWDZBQOSA-N

> <FORMULA>
C27H26O10

> <MOLECULAR_WEIGHT>
510.495

> <EXACT_MASS>
510.152597037

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
52.273146807844455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-{[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
3.14

> <JCHEM_LOGP>
3.458803451333334

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.175951431452276

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.577593859366002

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9531329122819656

> <JCHEM_POLAR_SURFACE_AREA>
144.14000000000001

> <JCHEM_REFRACTIVITY>
134.0968

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-{[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 63 66  0  0  0  0  0  0  0  0999 V2000
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  1 40  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      -3.273  -2.906  -3.059  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.131  -3.474  -3.691  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.048  -2.647  -3.851  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.959  -1.317  -3.441  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.221  -0.582  -3.657  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.317   0.856  -3.190  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.995   0.991  -1.812  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.284   2.477  -1.523  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.075   3.230  -1.434  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.078   0.461  -0.828  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.652   0.254   0.404  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.583  -0.765   0.626  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.017  -1.582  -0.384  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.109  -2.672  -0.558  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.150  -0.941   1.888  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.744  -0.140   2.964  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.330  -0.308   4.309  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.524  -1.520   4.848  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.101  -1.617   6.197  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.301  -2.700   6.735  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.427  -0.359   6.876  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.982  -0.339   8.161  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.258  -1.476   8.871  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.278   0.874   8.778  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.016   2.062   8.101  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.288   3.274   8.664  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.464   2.054   6.822  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.169   0.837   6.210  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.625   0.886   4.950  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.776   0.857   2.742  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.222   1.057   1.472  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.715   2.013   1.163  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.167   2.852   2.219  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.313  -1.197  -4.286  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.230  -2.526  -4.699  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.056  -3.234  -4.478  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.001  -4.539  -4.888  0.00  0.00           O+0
HETATM   38  H   UNK     0      -3.674  -2.070  -3.642  0.00  0.00           H+0
HETATM   39  H   UNK     0      -4.047  -3.679  -3.012  0.00  0.00           H+0
HETATM   40  H   UNK     0      -3.045  -2.601  -2.032  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.786  -0.824  -2.939  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.875   1.424  -3.946  0.00  0.00           H+0
HETATM   43  H   UNK     0      -0.693   1.285  -3.163  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.942   0.439  -1.819  0.00  0.00           H+0
HETATM   45  H   UNK     0       1.819   2.600  -0.576  0.00  0.00           H+0
HETATM   46  H   UNK     0       1.902   2.915  -2.313  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.458   2.783  -0.744  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.090  -2.328  -0.760  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.116  -3.324   0.323  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.450  -3.260  -1.415  0.00  0.00           H+0
HETATM   51  H   UNK     0       2.912  -1.706   2.015  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.274  -2.452   4.357  0.00  0.00           H+0
HETATM   53  H   UNK     0       4.002  -2.252   8.322  0.00  0.00           H+0
HETATM   54  H   UNK     0       4.708   0.871   9.775  0.00  0.00           H+0
HETATM   55  H   UNK     0       4.676   3.131   9.544  0.00  0.00           H+0
HETATM   56  H   UNK     0       3.268   2.992   6.310  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.469   1.471   3.584  0.00  0.00           H+0
HETATM   58  H   UNK     0      -1.661   2.269   3.003  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.906   3.543   1.802  0.00  0.00           H+0
HETATM   60  H   UNK     0      -0.345   3.450   2.626  0.00  0.00           H+0
HETATM   61  H   UNK     0       2.236  -0.647  -4.456  0.00  0.00           H+0
HETATM   62  H   UNK     0       2.072  -3.006  -5.187  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.901  -4.834  -4.658  0.00  0.00           H+0
CONECT    1    2   38   39   40                                             
CONECT    2    3    1                                                       
CONECT    3    4   36    2                                                  
CONECT    4    5    3   41                                                  
CONECT    5    4   34    6                                                  
CONECT    6    7    5   42   43                                             
CONECT    7   10    6    8   44                                             
CONECT    8    7    9   45   46                                             
CONECT    9    8   47                                                       
CONECT   10   11    7                                                       
CONECT   11   10   31   12                                                  
CONECT   12   13   11   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13   48   49   50                                             
CONECT   15   12   16   51                                                  
CONECT   16   30   15   17                                                  
CONECT   17   18   29   16                                                  
CONECT   18   19   17   52                                                  
CONECT   19   21   18   20                                                  
CONECT   20   19                                                            
CONECT   21   19   28   22                                                  
CONECT   22   23   24   21                                                  
CONECT   23   22   53                                                       
CONECT   24   25   22   54                                                  
CONECT   25   26   24   27                                                  
CONECT   26   25   55                                                       
CONECT   27   25   28   56                                                  
CONECT   28   29   21   27                                                  
CONECT   29   28   17                                                       
CONECT   30   16   31   57                                                  
CONECT   31   32   30   11                                                  
CONECT   32   31   33                                                       
CONECT   33   32   58   59   60                                             
CONECT   34   35    5   61                                                  
CONECT   35   36   34   62                                                  
CONECT   36    3   35   37                                                  
CONECT   37   36   63                                                       
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    4                                                            
CONECT   42    6                                                            
CONECT   43    6                                                            
CONECT   44    7                                                            
CONECT   45    8                                                            
CONECT   46    8                                                            
CONECT   47    9                                                            
CONECT   48   14                                                            
CONECT   49   14                                                            
CONECT   50   14                                                            
CONECT   51   15                                                            
CONECT   52   18                                                            
CONECT   53   23                                                            
CONECT   54   24                                                            
CONECT   55   26                                                            
CONECT   56   27                                                            
CONECT   57   30                                                            
CONECT   58   33                                                            
CONECT   59   33                                                            
CONECT   60   33                                                            
CONECT   61   34                                                            
CONECT   62   35                                                            
CONECT   63   37                                                            
MASTER        0    0    0    0    0    0    0    0   63    0  132    0
END

RDKit          3D

63 66  0  0  0  0  0  0  0  0999 V2000
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   -2.1315   -3.4737   -3.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9592   -1.3166   -3.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9817   -0.3389    8.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -1.4760    8.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784    0.8740    8.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158    2.0620    8.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884    3.2736    8.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    2.0542    6.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692    0.8369    6.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    0.8862    4.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7763    0.8574    2.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217    1.0572    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151    2.0125    1.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    2.8522    2.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3132   -1.1973   -4.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296   -2.5256   -4.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -3.2337   -4.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -4.5389   -4.8878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6736   -2.0703   -3.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0467   -3.6791   -3.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449   -2.6013   -2.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -0.8235   -2.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748    1.4240   -3.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926    1.2852   -3.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    0.4392   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    2.6003   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    2.9148   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    2.7829   -0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -2.3275   -0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160   -3.3235    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -3.2596   -1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116   -1.7061    2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742   -2.4521    4.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0024   -2.2520    8.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7081    0.8714    9.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758    3.1310    9.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682    2.9921    6.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    1.4714    3.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609    2.2692    3.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056    3.5433    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446    3.4500    2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -0.6466   -4.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719   -3.0064   -5.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9014   -4.8339   -4.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0
 25 26  1  0
 21 19  1  0
 22 23  1  0
 19 18  1  0
 12 13  1  0
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 11 10  1  0
 28 21  2  0
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  7  6  1  0
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 35 62  1  0
 34 61  1  0
 37 63  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₆O₁₀

Average Mass

510.4950 Da

Monoisotopic Mass

510.15260 Da

IUPAC Name

5,7-dihydroxy-2-(4-{[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(4-{[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)chromen-4-one

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C2=C(C(=O)C([H])=C(O2)C2=C([H])C(OC([H])([H])[H])=C(O[C@]([H])(C([H])([H])O[H])C([H])([H])C3=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C3[H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]

InChI Identifier

InChI=1S/C27H26O10/c1-33-22-7-14(4-5-18(22)30)6-17(13-28)36-27-24(34-2)8-15(9-25(27)35-3)21-12-20(32)26-19(31)10-16(29)11-23(26)37-21/h4-5,7-12,17,28-31H,6,13H2,1-3H3/t17-/m0/s1

InChI Key

OMSNRRNUPSTJFQ-KRWDZBQOSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, 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
Sasa veitchii	JEOL database	Nakajima, Y., et al, Tetrahedron 59, 8011 (2003)

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	3.14	ALOGPS
logP	3.46	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	6.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	144.14 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	134.1 m³·mol⁻¹	ChemAxon
Polarizability	52.27 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

Not Available

References

General References

Nakajima, Y., et al. (2003). Nakajima, Y., et al, Tetrahedron 59, 8011 (2003). Tetrahedron.

Showing NP-Card for tricin 4'-O-guaiacylglyceryl ether (NP0026685)

MOL for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

3D MOL for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

3D SDF for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

3D-SDF for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

PDB for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

3D PDB for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

SMILES for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

INCHI for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

Structure for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)

3D Structure for NP0026685 (tricin 4'-O-guaiacylglyceryl ether)