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Showing NP-Card for Cinncassiol C1 19-glucoside (NP0335992)

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Record Information
Version2.0
Created at2024-09-11 04:13:06 UTC
Updated at2024-09-11 04:13:06 UTC
NP-MRD IDNP0335992
Secondary Accession NumbersNone
Natural Product Identification
Common NameCinncassiol C1 19-glucoside
DescriptionCinncassiol C1 19-glucoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review very few articles have been published on Cinncassiol C1 19-glucoside.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0335992 (Cinncassiol C1 19-glucoside)


  Mrv2104 05262306452D          

 38 42  0  0  0  0            999 V2000
    0.2010    0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2879   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918    2.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321   -0.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3632   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9583    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350    1.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0335    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106    0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5353    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    0.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813   -0.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7827    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350    2.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9367    1.4507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -0.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832   -1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    2.2589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7862   -0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2091   -0.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643   -0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
 11  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 22  3  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23  4  1  0  0  0  0
 23 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 26 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28 15  2  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 21  2  0  0  0  0
 34 24  1  0  0  0  0
 35 25  1  0  0  0  0
 36  9  1  0  0  0  0
 36 20  1  0  0  0  0
 37 14  1  0  0  0  0
 37 20  1  0  0  0  0
 38 25  1  0  0  0  0
 38 26  1  0  0  0  0
M  END
Download

3D MOL for NP0335992 (Cinncassiol C1 19-glucoside)

Download
3D SDF for NP0335992 (Cinncassiol C1 19-glucoside)

  Mrv2104 05262306452D          

 38 42  0  0  0  0            999 V2000
    0.2010    0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2879   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918    2.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321   -0.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3632   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9583    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350    1.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0335    0.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106    0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5353    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    0.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813   -0.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7827    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350    2.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9367    1.4507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -0.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832   -1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    2.2589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7862   -0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2091   -0.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643   -0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
 11  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 22  3  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23  4  1  0  0  0  0
 23 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 26 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28 15  2  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 21  2  0  0  0  0
 34 24  1  0  0  0  0
 35 25  1  0  0  0  0
 36  9  1  0  0  0  0
 36 20  1  0  0  0  0
 37 14  1  0  0  0  0
 37 20  1  0  0  0  0
 38 25  1  0  0  0  0
 38 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335992

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C

> <INCHI_IDENTIFIER>
InChI=1/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3

> <INCHI_KEY>
UUAKLIKPAJSLHI-UHFFFAOYNA-N

> <FORMULA>
C26H38O12

> <MOLECULAR_WEIGHT>
542.578

> <EXACT_MASS>
542.236326664

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.81744725557378

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1^{7,10}.0^{2,7}]pentadec-11-ene-13,15-dione

> <JCHEM_LOGP>
-0.917223291333336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.167171930580073

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.290755113525858

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083413133809

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
127.94269999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1^{7,10}.0^{2,7}]pentadec-11-ene-13,15-dione

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0335992 (Cinncassiol C1 19-glucoside)
Download
PDB for NP0335992 (Cinncassiol C1 19-glucoside)
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       0.375   0.595   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.871  -1.649   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.771   4.979   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.026  -1.457   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.976   2.745   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.342   3.443   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.075   2.363   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.980  -0.846   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.410   0.529   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.403   1.894   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.791   1.202   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.011  -0.116   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.753   0.773   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.722   0.043   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.905   3.532   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.863   1.576   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.605   2.465   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.206   1.819   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.033   0.275   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.066   0.286   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.745  -0.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.183   3.385   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.298  -0.100   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.631   2.624   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.057   0.572   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.368   0.992   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      19.378  -0.201   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.433   4.979   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      18.261   2.221   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      15.745   3.998   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      12.949   2.708   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.821  -1.250   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.382  -1.897   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.331   4.217   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       7.711   1.423   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      12.668  -0.359   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      15.324  -0.603   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.600  -0.573   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2   12                                                            
CONECT    3   22                                                            
CONECT    4   23                                                            
CONECT    5    6   11                                                       
CONECT    6    5   24                                                       
CONECT    7   13   15                                                       
CONECT    8   14   27                                                       
CONECT    9   12   36                                                       
CONECT   10   22   25                                                       
CONECT   11    1    5   19                                                  
CONECT   12    2    9   13                                                  
CONECT   13    7   12   23                                                  
CONECT   14    8   16   37                                                  
CONECT   15    7   22   28                                                  
CONECT   16   14   17   29                                                  
CONECT   17   16   18   30                                                  
CONECT   18   17   20   31                                                  
CONECT   19   11   26   32                                                  
CONECT   20   18   36   37                                                  
CONECT   21   23   26   33                                                  
CONECT   22    3   10   15   24                                             
CONECT   23    4   13   21   25                                             
CONECT   24    6   22   26   34                                             
CONECT   25   10   23   35   38                                             
CONECT   26   19   21   24   38                                             
CONECT   27    8                                                            
CONECT   28   15                                                            
CONECT   29   16                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   21                                                            
CONECT   34   24                                                            
CONECT   35   25                                                            
CONECT   36    9   20                                                       
CONECT   37   14   20                                                       
CONECT   38   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

Download
3D PDB for NP0335992 (Cinncassiol C1 19-glucoside)
Download
SMILES for NP0335992 (Cinncassiol C1 19-glucoside)
CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C
Download
INCHI for NP0335992 (Cinncassiol C1 19-glucoside)
InChI=1/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3
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View in JSmol
SynonymsNot Available
Chemical FormulaC26H38O12
Average Mass542.5780 Da
Monoisotopic Mass542.23633 Da
IUPAC Name2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1^{7,10}.0^{2,7}]pentadec-11-ene-13,15-dione
Traditional Name2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1^{7,10}.0^{2,7}]pentadec-11-ene-13,15-dione
CAS Registry NumberNot Available
SMILES
CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C
InChI Identifier
InChI=1/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3
InChI KeyUUAKLIKPAJSLHI-UHFFFAOYNA-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 terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassTerpene glycosides  
Direct ParentTerpene glycosides  
Alternative Parents
Substituents
  • Terpene glycoside
    • 

  • Sesquiterpenoid
    • 

  • Hexose monosaccharide
    • 

  • Glycosyl compound
    • 

  • O-glycosyl compound
    • 

  • 3-furanone
    • 

  • Monosaccharide
    • 

  • Oxane
    • 

  • Tetrahydrofuran
    • 

  • Tertiary alcohol
    • 

  • Cyclic alcohol
    • 

  • Secondary alcohol
    • 

  • Hemiacetal
    • 

  • Ketone
    • 

  • Organoheterocyclic compound
    • 

  • Oxacycle
    • 

  • Acetal
    • 

  • Polyol
    • 

  • Hydrocarbon derivative
    • 

  • Alcohol
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Primary alcohol
    • 

  • Carbonyl group
    • 

  • Organooxygen compound
    • 

  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic 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
logP-0.92ChemAxon
pKa (Strongest Acidic)11.29ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity127.94 m³·mol⁻¹ChemAxon
Polarizability54.82 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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