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Showing NP-Card for (9Z)-Lycopene (NP0337979)

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Record Information
Version2.0
Created at2024-09-11 13:18:29 UTC
Updated at2024-09-11 13:18:30 UTC
NP-MRD IDNP0337979
Secondary Accession NumbersNone
Natural Product Identification
Common Name(9Z)-Lycopene
Description(9Z)-Lycopene belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family (9Z)-Lycopene is possibly neutral.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337979 ((9Z)-Lycopene)


  Mrv0541 02241219172D          

 40 39  0  0  0  0            999 V2000
   -6.0219   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0219   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7645   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3620   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  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
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
Download

3D MOL for NP0337979 ((9Z)-Lycopene)

Download
3D SDF for NP0337979 ((9Z)-Lycopene)

  Mrv0541 02241219172D          

 40 39  0  0  0  0            999 V2000
   -6.0219   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0219   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7645   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3620   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  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
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337979

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C/C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C\C=C(\C)/C=C/C=C(\C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,32-18-,35-21+,36-22-,37-27+,38-28-,39-29-,40-30+

> <INCHI_KEY>
OAIJSZIZWZSQBC-VAXROGIDSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.8726

> <EXACT_MASS>
536.438201792

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
71.04534936066418

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
11.931831819333333

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
197.80600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0337979 ((9Z)-Lycopene)
Download
PDB for NP0337979 ((9Z)-Lycopene)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0     -11.241 -11.164   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -11.241  -9.624   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.627  -8.854   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.009  -8.854   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.623  -9.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.237  -8.854   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.005  -9.624   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.005 -11.164   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.619  -8.854   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.619  -7.314   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.233  -6.544   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.001  -7.314   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.847  -8.854   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.615  -6.544   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.617  -7.314   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.003  -6.544   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.387  -7.314   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.387  -8.854   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.773  -6.544   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.773  -5.004   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.005  -4.234   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.005  -2.694   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.391  -1.926   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.623  -2.694   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.391  -0.386   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.623   0.384   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.009  -0.386   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.395   0.384   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.627  -0.386   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.395   1.924   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.009   2.694   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.009   4.234   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.623   5.004   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.391   4.234   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.777   6.544   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.391   7.314   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.391   8.854   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.005  11.164   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.005   9.624   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.619   8.854   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   39                                                       
CONECT   38   39                                                            
CONECT   39   37   38   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

Download
3D PDB for NP0337979 ((9Z)-Lycopene)
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SMILES for NP0337979 ((9Z)-Lycopene)
CC(C)=CCC\C(C)=C/C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C\C=C(\C)/C=C/C=C(\C)CCC=C(C)C
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INCHI for NP0337979 ((9Z)-Lycopene)
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,32-18-,35-21+,36-22-,37-27+,38-28-,39-29-,40-30+
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SynonymsNot Available
Chemical FormulaC40H56
Average Mass536.8726 Da
Monoisotopic Mass536.43820 Da
IUPAC Name(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Traditional Name(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CAS Registry NumberNot Available
SMILES
CC(C)=CCC\C(C)=C/C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C\C=C(\C)/C=C/C=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,32-18-,35-21+,36-22-,37-27+,38-28-,39-29-,40-30+
InChI KeyOAIJSZIZWZSQBC-VAXROGIDSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassTetraterpenoids  
Direct ParentCarotenes  
Alternative Parents
Substituents
  • Carotene
    • 

  • Branched unsaturated hydrocarbon
    • 

  • Unsaturated aliphatic hydrocarbon
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  • Unsaturated hydrocarbon
    • 

  • Olefin
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  • Acyclic olefin
    • 

  • Hydrocarbon
    • 

  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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
logP9.16ALOGPS
logP11.93ChemAxon
logS-6.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count16ChemAxon
Refractivity197.81 m³·mol⁻¹ChemAxon
Polarizability71.05 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 IDFDB020643  
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