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Showing NP-Card for (E)-Resveratrol 4'-(6''-galloylglucoside) (NP0337063)

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Record Information
Version2.0
Created at2024-09-11 09:06:34 UTC
Updated at2024-09-11 09:06:34 UTC
NP-MRD IDNP0337063
Secondary Accession NumbersNone
Natural Product Identification
Common Name(E)-Resveratrol 4'-(6''-galloylglucoside)
Description(E)-Resveratrol 4'-(6''-galloylglucoside) belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Based on a literature review very few articles have been published on (E)-Resveratrol 4'-(6''-galloylglucoside).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))


  Mrv2104 05262311382D          

 39 42  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 13  1  1  0  0  0  0
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 13  4  1  0  0  0  0
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 14  8  1  0  0  0  0
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 15 10  1  0  0  0  0
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 22 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 22  1  0  0  0  0
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 35 25  1  0  0  0  0
 36 26  2  0  0  0  0
 37 12  1  0  0  0  0
 37 26  1  0  0  0  0
 38 18  1  0  0  0  0
 38 27  1  0  0  0  0
 39 21  1  0  0  0  0
 39 27  1  0  0  0  0
M  END
Download

3D MOL for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))

Download
3D SDF for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))

  Mrv2104 05262311382D          

 39 42  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 13  1  1  0  0  0  0
 13  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 14  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 16 11  2  0  0  0  0
 17  8  2  0  0  0  0
 17 11  1  0  0  0  0
 18  5  2  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  2  0  0  0  0
 21 12  1  0  0  0  0
 22 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  1  0  0  0  0
 35 25  1  0  0  0  0
 36 26  2  0  0  0  0
 37 12  1  0  0  0  0
 37 26  1  0  0  0  0
 38 18  1  0  0  0  0
 38 27  1  0  0  0  0
 39 21  1  0  0  0  0
 39 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337063

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-

> <INCHI_KEY>
HQQSMUBDNVIUPF-UPHRSURJNA-N

> <FORMULA>
C27H26O12

> <MOLECULAR_WEIGHT>
542.493

> <EXACT_MASS>
542.142426277

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
52.842823239879074

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <JCHEM_LOGP>
2.718926676666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.189507255095796

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.07074616771039

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649110481334622

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
135.36459999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6-{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))
Download
PDB for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  17.710   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  15.400   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  18.480   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  17.710   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335  20.020   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       8.002  15.400   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  18.480   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334  16.170   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       2.667  13.860   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667  10.780   0.000  0.00  0.00           O+0
CONECT    1    2   13                                                       
CONECT    2    1   14                                                       
CONECT    3    5   13                                                       
CONECT    4    6   13                                                       
CONECT    5    3   18                                                       
CONECT    6    4   18                                                       
CONECT    7   14   16                                                       
CONECT    8   14   17                                                       
CONECT    9   15   19                                                       
CONECT   10   15   20                                                       
CONECT   11   16   17                                                       
CONECT   12   21   37                                                       
CONECT   13    1    3    4                                                  
CONECT   14    2    7    8                                                  
CONECT   15    9   10   26                                                  
CONECT   16    7   11   28                                                  
CONECT   17    8   11   29                                                  
CONECT   18    5    6   38                                                  
CONECT   19    9   22   30                                                  
CONECT   20   10   22   31                                                  
CONECT   21   12   23   39                                                  
CONECT   22   19   20   32                                                  
CONECT   23   21   24   33                                                  
CONECT   24   23   25   34                                                  
CONECT   25   24   27   35                                                  
CONECT   26   15   36   37                                                  
CONECT   27   25   38   39                                                  
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35   25                                                            
CONECT   36   26                                                            
CONECT   37   12   26                                                       
CONECT   38   18   27                                                       
CONECT   39   21   27                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

Download
3D PDB for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))
Download
SMILES for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))
OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O
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INCHI for NP0337063 ((E)-Resveratrol 4'-(6''-galloylglucoside))
InChI=1/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-
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SynonymsNot Available
Chemical FormulaC27H26O12
Average Mass542.4930 Da
Monoisotopic Mass542.14243 Da
IUPAC Name(6-{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
Traditional Name(6-{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
CAS Registry NumberNot Available
SMILES
OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O
InChI Identifier
InChI=1/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-
InChI KeyHQQSMUBDNVIUPF-UPHRSURJNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as stilbene glycosides. These are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassStilbenes  
Sub ClassStilbene glycosides  
Direct ParentStilbene glycosides  
Alternative Parents
Substituents
  • Stilbene glycoside
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  • Phenolic glycoside
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  • Galloyl ester
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  • Gallic acid or derivatives
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  • Glycosyl compound
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  • P-hydroxybenzoic acid alkyl ester
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  • M-hydroxybenzoic acid ester
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  • P-hydroxybenzoic acid ester
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  • O-glycosyl compound
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  • Benzoate ester
    • 

  • Pyrogallol derivative
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  • Benzenetriol
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  • Benzoic acid or derivatives
    • 

  • Styrene
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  • Resorcinol
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  • Phenoxy compound
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  • Phenol ether
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  • Benzoyl
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  • Phenol
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  • 1-hydroxy-2-unsubstituted benzenoid
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  • 1-hydroxy-4-unsubstituted benzenoid
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  • Monosaccharide
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  • Monocyclic benzene moiety
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  • Oxane
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  • Benzenoid
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  • Secondary alcohol
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  • Carboxylic acid ester
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  • Acetal
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  • Oxacycle
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  • Organoheterocyclic compound
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  • Carboxylic acid derivative
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  • Polyol
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  • Monocarboxylic acid or derivatives
    • 

  • Alcohol
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  • Organic oxygen compound
    • 

  • Organic oxide
    • 

  • Organooxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.72ChemAxon
pKa (Strongest Acidic)8.07ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area206.6 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity135.36 m³·mol⁻¹ChemAxon
Polarizability52.84 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available