Np mrd loader

Showing NP-Card for 1-tetracosene; tetracosane (NP0315671)

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Record Information
Version2.0
Created at2022-09-11 14:25:18 UTC
Updated at2022-09-11 14:25:18 UTC
NP-MRD IDNP0315671
Secondary Accession NumbersNone
Natural Product Identification
Common Name1-tetracosene; tetracosane
DescriptionTetracos-1-ene; tetracosane belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 1-tetracosene; tetracosane is found in Artemisia annua, Cistus creticus, Frullania scandens and Persicaria minor. Based on a literature review very few articles have been published on tetracos-1-ene; tetracosane.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0315671 (1-tetracosene; tetracosane)


  Mrv1652309112216252D          

 48 46  0  0  0  0            999 V2000
   -8.2164   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5019    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5736   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2880    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0025   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4314   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1459    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8604   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5749    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2893   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0038    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7183   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4327    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1472   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.0051   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7196    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4340   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1485    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8630   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5774    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2919   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0064    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 31 32  1  0  0  0  0
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 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
Download

3D MOL for NP0315671 (1-tetracosene; tetracosane)

Download
3D SDF for NP0315671 (1-tetracosene; tetracosane)

  Mrv1652309112216252D          

 48 46  0  0  0  0            999 V2000
   -8.2164   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5019    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5736   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2880    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0025   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4314   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1459    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8604   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5749    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2893   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0038    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7183   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4327    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1472   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8617    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5762   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2906    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0051   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7196    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4340   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1485    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8630   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5774    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2919   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0064    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0315671

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C24H50.C24H48/c2*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3;3H,1,4-24H2,2H3

> <INCHI_KEY>
ICQVEEKZOBQJNH-UHFFFAOYSA-N

> <FORMULA>
C48H98

> <MOLECULAR_WEIGHT>
675.312

> <EXACT_MASS>
674.766853156

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
146

> <JCHEM_AVERAGE_POLARIZABILITY>
49.49274474671504

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetracos-1-ene; tetracosane

> <JCHEM_LOGP>
10.829385876333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
112.27029999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tetracos-1-ene; tetracosane

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0315671 (1-tetracosene; tetracosane)
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PDB for NP0315671 (1-tetracosene; tetracosane)
HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0     -15.337  -0.385   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -14.004   0.385   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.670  -0.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.336   0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.003  -0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.669   0.385   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.335  -0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.002   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.668  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.334   0.385   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.001  -0.385   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.667   0.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.001   0.385   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.334  -0.385   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.668   0.385   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.002  -0.385   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.335   0.385   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.669  -0.385   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.003   0.385   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.336  -0.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.670   0.385   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.004  -0.385   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.337   0.385   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      19.737  -0.385   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      21.071   0.385   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      22.405  -0.385   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      23.738   0.385   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      25.072  -0.385   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      26.406   0.385   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.739  -0.385   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      29.073   0.385   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      30.407  -0.385   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      31.740   0.385   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.074  -0.385   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      34.408   0.385   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      35.741  -0.385   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      37.075   0.385   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      38.409  -0.385   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      39.742   0.385   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      41.076  -0.385   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      42.410   0.385   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      43.744  -0.385   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      45.077   0.385   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      46.411  -0.385   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      47.745   0.385   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      49.078  -0.385   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      50.412   0.385   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   26                                                            
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0   92    0
END

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3D PDB for NP0315671 (1-tetracosene; tetracosane)
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SMILES for NP0315671 (1-tetracosene; tetracosane)
CCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCC=C
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INCHI for NP0315671 (1-tetracosene; tetracosane)
InChI=1S/C24H50.C24H48/c2*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3;3H,1,4-24H2,2H3
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View in JSmol
SynonymsNot Available
Chemical FormulaC48H98
Average Mass675.3120 Da
Monoisotopic Mass674.76685 Da
IUPAC Nametetracos-1-ene; tetracosane
Traditional Nametetracos-1-ene; tetracosane
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCC=C
InChI Identifier
InChI=1S/C24H50.C24H48/c2*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3;3H,1,4-24H2,2H3
InChI KeyICQVEEKZOBQJNH-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Artemisia annuaLOTUS Database
Cistus creticusLOTUS Database
Frullania scandensLOTUS Database
Persicaria minorLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds  
Super ClassHydrocarbons  
ClassUnsaturated hydrocarbons  
Sub ClassUnsaturated aliphatic hydrocarbons  
Direct ParentUnsaturated aliphatic hydrocarbons  
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
    • 

  • Olefin
    • 

  • Saturated hydrocarbon
    • 

  • Aliphatic acyclic compound
Molecular FrameworkNot Available
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
logP10.83ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count42ChemAxon
Refractivity112.27 m³·mol⁻¹ChemAxon
Polarizability49.49 ųChemAxon
Number of Rings0ChemAxon
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 Compound163192680  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]