Np mrd loader

Showing NP-Card for Artonin F (NP0048171)

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Record Information
Version2.0
Created at2022-03-17 20:52:15 UTC
Updated at2022-03-17 20:52:15 UTC
NP-MRD IDNP0048171
Secondary Accession NumbersNone
Natural Product Identification
Common NameArtonin F
DescriptionArtonin F belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Thus, artonin F is considered to be a flavonoid lipid molecule. Artonin F is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Artonin F has been detected, but not quantified in, breadfruits and fruits. Artonin F is found in Artocarpus elasticus , Artocarpus rigidus, Artocarpus rigidus BLUME subsp.rigidus and Artocarpus styracifolius. This could make artonin F a potential biomarker for the consumption of these foods.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0048171 (Artonin F)


  Mrv0541 05061308172D          

 37 42  0  0  0  0            999 V2000
   -3.7049   -5.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179   -4.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165   -5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3771   -5.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889   -4.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879   -3.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301   -3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -4.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039   -5.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730   -3.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -2.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2720   -2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560   -1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -3.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430   -2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -5.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860   -2.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -0.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.2187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600   -4.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 21 20  2  0  0  0  0
 23 14  2  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 26 22  2  0  0  0  0
 27 16  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  2  0  0  0  0
 28 20  1  0  0  0  0
 29  3  1  0  0  0  0
 29  4  1  0  0  0  0
 29 10  1  0  0  0  0
 30  5  1  0  0  0  0
 30  6  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 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35 26  1  0  0  0  0
 35 27  1  0  0  0  0
 36 25  1  0  0  0  0
 36 29  1  0  0  0  0
 37 28  1  0  0  0  0
 37 30  1  0  0  0  0
M  END
Download

3D MOL for NP0048171 (Artonin F)

Download
3D SDF for NP0048171 (Artonin F)

  Mrv0541 05061308172D          

 37 42  0  0  0  0            999 V2000
   -3.7049   -5.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179   -4.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165   -5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3771   -5.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889   -4.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879   -3.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301   -3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -4.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039   -5.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730   -3.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -2.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2720   -2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560   -1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -3.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430   -2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -5.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860   -2.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -0.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.2187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600   -4.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 21 20  2  0  0  0  0
 23 14  2  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 26 22  2  0  0  0  0
 27 16  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  2  0  0  0  0
 28 20  1  0  0  0  0
 29  3  1  0  0  0  0
 29  4  1  0  0  0  0
 29 10  1  0  0  0  0
 30  5  1  0  0  0  0
 30  6  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 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35 26  1  0  0  0  0
 35 27  1  0  0  0  0
 36 25  1  0  0  0  0
 36 29  1  0  0  0  0
 37 28  1  0  0  0  0
 37 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048171

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C(O)C2=C(OC3=C(CC4C5=C3C(O)=CC(O)=C5OC4(C)C)C2=O)C2=C1OC(C)(C)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3

> <INCHI_KEY>
GKWNQOINHKVKOT-UHFFFAOYSA-N

> <FORMULA>
C30H30O7

> <MOLECULAR_WEIGHT>
502.555

> <EXACT_MASS>
502.199153314

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
55.76114112057144

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-3,9,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one

> <ALOGPS_LOGP>
5.64

> <JCHEM_LOGP>
5.767477216666666

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.255304074601258

> <JCHEM_PKA_STRONGEST_ACIDIC>
-8.215960866285371

> <JCHEM_PKA_STRONGEST_BASIC>
10.716461664231646

> <JCHEM_POLAR_SURFACE_AREA>
105.45

> <JCHEM_REFRACTIVITY>
142.8054

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
artonin F

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0048171 (Artonin F)
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PDB for NP0048171 (Artonin F)
HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -6.916 -11.064   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.247  -8.752   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.591 -10.711   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.571 -10.709   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.181   2.423   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.492   3.610   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.579  -8.755   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.577  -7.215   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.243  -7.222   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.245  -8.762   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.570  -0.290   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.760  -1.830   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.914  -9.524   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.243  -6.447   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.575  -6.450   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.570  -1.830   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.240   0.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.430  -2.600   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.760  -0.290   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.090  -0.290   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.090  -1.830   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.906  -4.138   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.241  -4.907   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.905  -2.598   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.910  -7.218   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.574  -4.910   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.237  -2.602   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.430   0.480   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.579  -9.530   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.320   2.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.432  -4.140   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.094   0.479   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.574  -4.135   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.237  -1.827   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -0.239  -4.142   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.912  -8.758   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.860   2.080   0.000  0.00  0.00           O+0
CONECT    1   13                                                            
CONECT    2   13                                                            
CONECT    3   29                                                            
CONECT    4   29                                                            
CONECT    5   30                                                            
CONECT    6   30                                                            
CONECT    7    8   13                                                       
CONECT    8    7   14                                                       
CONECT    9   10   15                                                       
CONECT   10    9   29                                                       
CONECT   11   16   17                                                       
CONECT   12   18   19                                                       
CONECT   13    1    2    7                                                  
CONECT   14    8   23   25                                                  
CONECT   15    9   25   26                                                  
CONECT   16   11   24   27                                                  
CONECT   17   11   20   30                                                  
CONECT   18   12   21   31                                                  
CONECT   19   12   28   32                                                  
CONECT   20   17   21   28                                                  
CONECT   21   18   20   27                                                  
CONECT   22   23   24   26                                                  
CONECT   23   14   22   33                                                  
CONECT   24   16   22   34                                                  
CONECT   25   14   15   36                                                  
CONECT   26   15   22   35                                                  
CONECT   27   16   21   35                                                  
CONECT   28   19   20   37                                                  
CONECT   29    3    4   10   36                                             
CONECT   30    5    6   17   37                                             
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35   26   27                                                       
CONECT   36   25   29                                                       
CONECT   37   28   30                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

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3D PDB for NP0048171 (Artonin F)
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SMILES for NP0048171 (Artonin F)
CC(C)=CCC1=C(O)C2=C(OC3=C(CC4C5=C3C(O)=CC(O)=C5OC4(C)C)C2=O)C2=C1OC(C)(C)C=C2
Download
INCHI for NP0048171 (Artonin F)
InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3
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View in JSmol
SynonymsNot Available
Chemical FormulaC30H30O7
Average Mass502.5550 Da
Monoisotopic Mass502.19915 Da
IUPAC Name12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-3,9,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one
Traditional Nameartonin F
CAS Registry Number129683-94-9
SMILES
CC(C)=CCC1=C(O)C2=C(OC3=C(CC4C5=C3C(O)=CC(O)=C5OC4(C)C)C2=O)C2=C1OC(C)(C)C=C2
InChI Identifier
InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3
InChI KeyGKWNQOINHKVKOT-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Artocarpus altilisFooDB
Artocarpus elasticusPlant
Artocarpus rigidusLOTUS Database
Artocarpus rigidus BLUME subsp.rigidusPlant
Artocarpus styracifoliusLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system.
KingdomOrganic compounds  
Super ClassOrganoheterocyclic compounds  
ClassBenzopyrans  
Sub Class1-benzopyrans  
Direct ParentPyranoxanthones  
Alternative Parents
Substituents
  • Pyranoxanthone
    • 

  • Naphthopyranone
    • 

  • Naphthopyran
    • 

  • Pyranochromene
    • 

  • 2,2-dimethyl-1-benzopyran
    • 

  • Chromone
    • 

  • 1-naphthol
    • 

  • Naphthalene
    • 

  • Coumaran
    • 

  • Alkyl aryl ether
    • 

  • Pyranone
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Benzenoid
    • 

  • Pyran
    • 

  • Vinylogous acid
    • 

  • Heteroaromatic compound
    • 

  • Polyol
    • 

  • Oxacycle
    • 

  • Ether
    • 

  • Organooxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
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
logP5.64ALOGPS
logP5.77ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)-8.2ChemAxon
pKa (Strongest Basic)10.72ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area105.45 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity142.81 m³·mol⁻¹ChemAxon
Polarizability55.76 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0035187  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013833  
KNApSAcK IDC00013489  
Chemspider ID10211392  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14680593  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available