NP-MRD: Showing NP-Card for 5,6-Epoxy-5,6-dihydrolycopene (NP0048163)

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Record Information

Version

2.0

Created at

2022-03-17 20:52:07 UTC

Updated at

2022-03-17 20:52:07 UTC

NP-MRD ID

NP0048163

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,6-Epoxy-5,6-dihydrolycopene

Description

5,6-Epoxy-5,6-dihydrolycopene belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. 5,6-Epoxy-5,6-dihydrolycopene is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 5,6-Epoxy-5,6-dihydrolycopene has been detected, but not quantified in, garden tomato. This could make 5,6-epoxy-5,6-dihydrolycopene a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061308152D          

 41 41  0  0  0  0            999 V2000
   -9.3519    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    2.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713    4.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0359    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638   -3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796    2.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2085    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    2.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9230    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    2.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3506   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393    3.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  2  0  0  0  0
 24 16  2  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  2  0  0  0  0
 28 16  1  0  0  0  0
 30 29  2  0  0  0  0
 31 17  1  0  0  0  0
 32  1  1  0  0  0  0
 32  2  1  0  0  0  0
 32 18  2  0  0  0  0
 33  3  1  0  0  0  0
 33  4  1  0  0  0  0
 33 19  2  0  0  0  0
 34  5  1  0  0  0  0
 34 20  2  0  0  0  0
 34 23  1  0  0  0  0
 35  6  1  0  0  0  0
 35 21  2  0  0  0  0
 35 24  1  0  0  0  0
 36  7  1  0  0  0  0
 36 22  1  0  0  0  0
 36 25  2  0  0  0  0
 37  8  1  0  0  0  0
 37 26  2  0  0  0  0
 37 27  1  0  0  0  0
 38  9  1  0  0  0  0
 38 28  2  0  0  0  0
 38 29  1  0  0  0  0
 39 30  1  0  0  0  0
 40 10  1  0  0  0  0
 40 31  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 41 40  1  0  0  0  0
M  END


  Mrv0541 05061308152D          

 41 41  0  0  0  0            999 V2000
   -9.3519    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    2.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713    4.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0359    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638   -3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796    2.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2085    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    2.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9230    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    2.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3506   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393    3.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7796   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  2  0  0  0  0
 24 16  2  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  2  0  0  0  0
 28 16  1  0  0  0  0
 30 29  2  0  0  0  0
 31 17  1  0  0  0  0
 32  1  1  0  0  0  0
 32  2  1  0  0  0  0
 32 18  2  0  0  0  0
 33  3  1  0  0  0  0
 33  4  1  0  0  0  0
 33 19  2  0  0  0  0
 34  5  1  0  0  0  0
 34 20  2  0  0  0  0
 34 23  1  0  0  0  0
 35  6  1  0  0  0  0
 35 21  2  0  0  0  0
 35 24  1  0  0  0  0
 36  7  1  0  0  0  0
 36 22  1  0  0  0  0
 36 25  2  0  0  0  0
 37  8  1  0  0  0  0
 37 26  2  0  0  0  0
 37 27  1  0  0  0  0
 38  9  1  0  0  0  0
 38 28  2  0  0  0  0
 38 29  1  0  0  0  0
 39 30  1  0  0  0  0
 40 10  1  0  0  0  0
 40 31  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 41 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048163

> <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/C1OC1(C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39-40(10,41-39)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39H,13,17,22,31H2,1-10H3/b12-11+,23-14-,24-16+,27-15+,30-29+,34-20+,35-21+,36-25-,37-26+,38-28-

> <INCHI_KEY>
KAOPTJGOSUTKJR-CUEHAKLQSA-N

> <FORMULA>
C40H56O

> <MOLECULAR_WEIGHT>
552.872

> <EXACT_MASS>
552.433116414

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
72.46306223062824

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(1E,3Z,5E,7E,9E,11E,13Z,15E,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)oxirane

> <ALOGPS_LOGP>
9.10

> <JCHEM_LOGP>
11.186957771

> <ALOGPS_LOGS>
-6.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.254426240703768

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
196.4125

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.94e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(1E,3Z,5E,7E,9E,11E,13Z,15E,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)oxirane

> <JCHEM_VEBER_RULE>
0

$$$$

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     -17.457   1.865   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -16.123   4.175   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.560   7.662   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.067   7.199   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.788  -2.755   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.119  -6.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.789   4.175   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.122  -2.755   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.216  -1.985   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.624   2.649   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.120  -4.295   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.787  -5.065   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -13.456   2.635   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -9.455  -4.295   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.455   0.325   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.548  -5.065   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.468   4.166   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -14.790   1.865   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.648   5.156   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.454  -5.065   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.453  -4.295   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -12.122   1.865   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.121  -5.065   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.215  -4.295   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -9.455   1.865   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -9.455  -2.755   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -10.789  -0.445   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.882  -4.295   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.548  -1.985   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.548  -0.445   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.735   2.649   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -16.123   2.635   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.380   6.672   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.788  -4.295   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.119  -5.065   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.789   2.635   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.789  -1.985   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.882  -2.755   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.215   0.325   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.445   1.659   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -0.325   0.325   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2   32                                                            
CONECT    3   33                                                            
CONECT    4   33                                                            
CONECT    5   34                                                            
CONECT    6   35                                                            
CONECT    7   36                                                            
CONECT    8   37                                                            
CONECT    9   38                                                            
CONECT   10   40                                                            
CONECT   11   12   20                                                       
CONECT   12   11   21                                                       
CONECT   13   18   22                                                       
CONECT   14   23   26                                                       
CONECT   15   25   27                                                       
CONECT   16   24   28                                                       
CONECT   17   19   31                                                       
CONECT   18   13   32                                                       
CONECT   19   17   33                                                       
CONECT   20   11   34                                                       
CONECT   21   12   35                                                       
CONECT   22   13   36                                                       
CONECT   23   14   34                                                       
CONECT   24   16   35                                                       
CONECT   25   15   36                                                       
CONECT   26   14   37                                                       
CONECT   27   15   37                                                       
CONECT   28   16   38                                                       
CONECT   29   30   38                                                       
CONECT   30   29   39                                                       
CONECT   31   17   40                                                       
CONECT   32    1    2   18                                                  
CONECT   33    3    4   19                                                  
CONECT   34    5   20   23                                                  
CONECT   35    6   21   24                                                  
CONECT   36    7   22   25                                                  
CONECT   37    8   26   27                                                  
CONECT   38    9   28   29                                                  
CONECT   39   30   40   41                                                  
CONECT   40   10   31   39   41                                             
CONECT   41   39   40                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   82    0
END

View in JSmol

Synonyms

Value	Source
5,6-Epoxy-5,6-dihydro-y,y-carotene	HMDB

Chemical Formula

C₄₀H₅₆O

Average Mass

552.8720 Da

Monoisotopic Mass

552.43312 Da

IUPAC Name

3-[(1E,3Z,5E,7E,9E,11E,13Z,15E,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)oxirane

Traditional Name

3-[(1E,3Z,5E,7E,9E,11E,13Z,15E,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)oxirane

CAS Registry Number

51599-10-1

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/C1OC1(C)CCC=C(C)C

InChI Identifier

InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39-40(10,41-39)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39H,13,17,22,31H2,1-10H3/b12-11+,23-14-,24-16+,27-15+,30-29+,34-20+,35-21+,36-25-,37-26+,38-28-

InChI Key

KAOPTJGOSUTKJR-CUEHAKLQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Solanum lycopersicum	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquaterpenoids

Direct Parent

Sesquaterpenoids

Alternative Parents

Substituents

Sesquaterpenoid
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	9.1	ALOGPS
logP	11.19	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	12.53 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	196.41 m³·mol⁻¹	ChemAxon
Polarizability	72.46 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0035139

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB013775

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751673

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 5,6-Epoxy-5,6-dihydrolycopene (NP0048163)

MOL for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

3D MOL for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

3D SDF for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

3D-SDF for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

PDB for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

3D PDB for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

SMILES for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

INCHI for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

Structure for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)

3D Structure for NP0048163 (5,6-Epoxy-5,6-dihydrolycopene)