NP-MRD: Showing NP-Card for 5,6-Dihydro-5,6-dihydroxy-y,y-carotene (NP0087024)

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Record Information

Version

2.0

Created at

2022-05-11 16:37:42 UTC

Updated at

2022-05-11 16:37:42 UTC

NP-MRD ID

NP0087024

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,6-Dihydro-5,6-dihydroxy-y,y-carotene

Description

5,6-Dihydro-5,6-dihydroxy-y,y-carotene belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes 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. Xanthophylls arise by oxygenation of the carotene backbone. Animals are unable to synthesise carotenoids de novo, and rely upon the diet as a source of these compounds. 5,6-Dihydro-5,6-dihydroxy-y,y-carotene is an extremely weak basic (essentially neutral) compound (based on its pKa). Since carotenoids are among the micronutrients found in cancer preventive foods, detailed qualitative and quantitative determination of these compounds, particularly in fruits and vegetables and in human plasma, have recently become increasingly important. Studies have shown an inverse relationship between the consumption of certain fruits and vegetables and the risk of epithelial cancer. Over recent years there has been considerable interest in dietary carotenoids with respect to their potential in alleviating age-related diseases in humans.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231219382D          

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M  END

     RDKit          3D

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M  END


  Mrv0541 02231219382D          

 42 41  0  0  0  0            999 V2000
    1.4725   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870  -10.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3305   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7594   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450  -10.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1884   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6174   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029  -10.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0463   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7608   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4753   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7608  -10.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1898   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6187   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3332   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0476   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3332   -8.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7622   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4766   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1911   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9056   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1911   -8.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6200   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3345   -9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0490   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7635   -8.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6365   -8.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4780   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1925   -8.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9069   -9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9069   -9.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6214   -8.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3345  -10.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4615   -9.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 32  1  0  0  0  0
 42 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0087024

> <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)CCC(O)C(C)(O)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H60O2/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(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+

> <INCHI_KEY>
SAQBOLDBFLXXPW-MRGSADCMSA-N

> <FORMULA>
C40H60O2

> <MOLECULAR_WEIGHT>
572.9032

> <EXACT_MASS>
572.459331164

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
75.28303197953825

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-6,7-diol

> <ALOGPS_LOGP>
8.19

> <JCHEM_LOGP>
10.231268395333332

> <ALOGPS_LOGS>
-6.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.13721357159509

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.7269743109329

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2115662973002825

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
198.96000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.09e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-6,7-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       2.749 -16.982   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.082 -17.752   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.082 -19.292   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.416 -16.982   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.750 -17.752   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.084 -16.982   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.417 -17.752   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.751 -16.982   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.417 -19.292   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.085 -17.752   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.418 -16.982   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.752 -17.752   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.086 -16.982   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.752 -19.292   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.419 -17.752   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.753 -16.982   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.087 -17.752   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.421 -16.982   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      20.087 -19.292   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      22.754 -17.752   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.088 -16.982   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.422 -17.752   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.755 -16.982   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.089 -17.752   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.755 -15.442   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      29.423 -16.982   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      30.756 -17.752   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      32.090 -16.982   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      33.424 -17.752   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      32.090 -15.442   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      34.757 -16.982   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      36.091 -17.752   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      37.425 -16.982   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      38.759 -16.212   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      36.655 -15.649   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      40.092 -16.982   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      41.426 -16.212   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      42.760 -16.982   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      42.760 -18.522   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      44.093 -16.212   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      36.091 -19.292   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      38.195 -18.316   0.000  0.00  0.00           O+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   10                                                       
CONECT    9    7                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   15                                                       
CONECT   14   12                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   20                                                       
CONECT   19   17                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   26                                                       
CONECT   25   23                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28   31                                                       
CONECT   30   28                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   41                                                  
CONECT   33   32   34   35   42                                             
CONECT   34   33   36                                                       
CONECT   35   33                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   32                                                            
CONECT   42   33                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₆₀O₂

Average Mass

572.9032 Da

Monoisotopic Mass

572.45933 Da

IUPAC Name

(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-6,7-diol

Traditional Name

(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-6,7-diol

CAS Registry Number

Not 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)CCC(O)C(C)(O)CCC=C(C)C

InChI Identifier

InChI=1S/C40H60O2/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(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+

InChI Key

SAQBOLDBFLXXPW-MRGSADCMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes 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. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Fatty alcohol
Fatty acyl
Tertiary alcohol
Secondary alcohol
1,2-diol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	8.19	ALOGPS
logP	10.23	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	13.73	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	198.96 m³·mol⁻¹	ChemAxon
Polarizability	75.28 Å³	ChemAxon
Number of Rings	0	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

HMDB0003071

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023104

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

53477761

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 5,6-Dihydro-5,6-dihydroxy-y,y-carotene (NP0087024)

MOL for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

3D MOL for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

3D SDF for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

3D-SDF for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

PDB for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

3D PDB for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

SMILES for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

INCHI for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

Structure for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)

3D Structure for NP0087024 (5,6-Dihydro-5,6-dihydroxy-y,y-carotene)