NP-MRD: Showing NP-Card for Zeaxanthin (NP0044284)

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Record Information

Version

2.0

Created at

2022-02-14 20:44:14 UTC

Updated at

2022-03-10 22:22:56 UTC

NP-MRD ID

NP0044284

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Zeaxanthin

Description

Zeaxanthin, also known as anchovyxanthin or 3R,3'r-zeaxanthin, 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. Thus, zeaxanthin is considered to be an isoprenoid lipid molecule. Zeaxanthin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Zeaxanthin is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042000272D          

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M  END

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M  END


  Mrv1652309042000272D          

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 9998.194910000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9091 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.623310000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3372 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.051010000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7648 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.480610000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1944 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.908210000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.6219 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.335710000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.0515 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.0010 9999.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.9510 9999.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.051510001.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.908710001.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.6219 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7648 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.194910001.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.338210001.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.959710000.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.009510000.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9079 9998.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.0512 9998.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.479610000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7651 9999.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7651 9998.9540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9992.4796 9998.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.1941 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.1941 9999.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.480510001.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.766010001.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.766010000.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.4805 9999.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.195010000.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.195010001.0163    0.0000 C   0  0  2  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  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 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
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 31 32  1  0  0  0  0
 31 36  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  2  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  2  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
  1 36  1  0  0  0  0
 31 27  1  0  0  0  0
 31 28  1  0  0  0  0
 33 30  1  1  0  0  0
 35 29  1  0  0  0  0
 18 39  1  0  0  0  0
 40 19  1  0  0  0  0
 40 20  1  0  0  0  0
 42 22  1  1  0  0  0
 38 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044284

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

> <INCHI_KEY>
JKQXZKUSFCKOGQ-QAYBQHTQSA-N

> <FORMULA>
C40H56O2

> <MOLECULAR_WEIGHT>
568.886

> <EXACT_MASS>
568.428031043

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
73.46744361216797

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

> <ALOGPS_LOGP>
8.30

> <JCHEM_LOGP>
8.350644046

> <ALOGPS_LOGS>
-5.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.907213404525137

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.907213404525137

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7887548611967236

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
194.9508

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.49e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zeaxanthin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8655.2958667.024   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8656.6288666.253   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8657.9658667.024   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8659.2988666.253   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8660.6318667.024   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8661.9648666.253   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8663.2978667.024   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8664.6308666.253   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8665.9638667.024   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.2968666.253   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8668.6298667.024   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8669.9618666.253   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8671.2978667.024   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8672.6308666.253   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8673.9628667.024   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8675.2948666.253   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8676.6278667.024   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8677.9638666.253   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8681.6028665.058   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8679.6428665.077   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8677.9638669.331   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0    8683.2968669.331   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0    8675.2948664.714   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8669.9618664.714   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8663.2978668.565   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8657.9658668.565   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8651.6588668.222   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8653.6188668.206   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8655.2958663.946   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0    8649.9628663.946   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0    8652.6298667.024   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8651.2958666.254   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8651.2958664.714   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8652.6298663.944   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8653.9628664.714   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8653.9628666.254   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8680.6308669.334   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8679.2978668.564   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8679.2978667.024   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8680.6308666.254   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0    8681.9648667.024   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0    8681.9648668.564   0.000  0.00  0.00           C+0
CONECT    1    2   36                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   26                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   25                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   39                                                       
CONECT   19   40                                                            
CONECT   20   40                                                            
CONECT   21   38                                                            
CONECT   22   42                                                            
CONECT   23   16                                                            
CONECT   24   12                                                            
CONECT   25    7                                                            
CONECT   26    3                                                            
CONECT   27   31                                                            
CONECT   28   31                                                            
CONECT   29   35                                                            
CONECT   30   33                                                            
CONECT   31   32   36   27   28                                             
CONECT   32   31   33                                                       
CONECT   33   32   34   30                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   29                                                  
CONECT   36   31   35    1                                                  
CONECT   37   38   42                                                       
CONECT   38   37   39   21                                                  
CONECT   39   38   40   18                                                  
CONECT   40   39   41   19   20                                             
CONECT   41   40   42                                                       
CONECT   42   37   41   22                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Value	Source
(3R,3'r)-Dihydroxy-beta,beta-carotene	ChEBI
all-trans-beta-Carotene-3,3'-diol	ChEBI
all-trans-Zeaxanthin	ChEBI
Anchovyxanthin	ChEBI
beta,beta-Carotene-3,3'-diol	ChEBI
(3R,3'r)-beta,beta-Carotene-3,3'-diol	Kegg
(3R,3'r)-Dihydroxy-b,b-carotene	Generator
(3R,3'r)-Dihydroxy-β,β-carotene	Generator
all-trans-b-Carotene-3,3'-diol	Generator
all-trans-Β-carotene-3,3'-diol	Generator
b,b-Carotene-3,3'-diol	Generator
Β,β-carotene-3,3'-diol	Generator
(3R,3'r)-b,b-Carotene-3,3'-diol	Generator
(3R,3'r)-Β,β-carotene-3,3'-diol	Generator
Beta Carotene 3,3' diol	HMDB
beta-Carotene-3,3'-diol	HMDB
3R,3'r-Zeaxanthin	HMDB
Zeaxanthins	HMDB
3R,3'r Zeaxanthin	HMDB
(3R,3'r)-Zeaxanthin	HMDB
all-trans-Anchovyxanthin	HMDB
Xanthophyll 3	HMDB
Zeaxanthol	HMDB
(3R,3'r)-Dihydroxy-beta-carotene	HMDB
(3R,3'r)-Dihydroxy-β-carotene	HMDB
(3R,3’R)-dihydroxy-β-carotene	HMDB
(3R,3’R)-zeaxanthin	HMDB
(3R,3’R)-β,β-carotene-3,3’-diol	HMDB
all-e-Zeaxanthin	HMDB
all-trans-3R,3'r-Zeaxanthin	HMDB
all-trans-3R,3’R-zeaxanthin	HMDB

Chemical Formula

C₄₀H₅₆O₂

Average Mass

568.8860 Da

Monoisotopic Mass

568.42803 Da

IUPAC Name

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

Traditional Name

zeaxanthin

CAS Registry Number

144-68-3

SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C

InChI Identifier

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

InChI Key

JKQXZKUSFCKOGQ-QAYBQHTQSA-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
Actinidia chinensis	Plant	KNApSAcK
Actinidia deliciosa	Plant	KNApSAcK
Actinidia macrosperma	Plant	KNApSAcK
African marigold	LOTUS Database	35616633
Agastache foeniculum	LOTUS Database	35616633
Allium rotundum	LOTUS Database	35616633
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Apis cerana	LOTUS Database	35616633
Aplysia punctata	LOTUS Database	35616633
Arabidopsis thaliana	Plant	KNApSAcK
Arnica montana	LOTUS Database	35616633
Asparagus officinalis	Plant	KNApSAcK
Astragalus falcatus	LOTUS Database	35616633
Aureococcus anaphagefferens	Chromista	KNApSAcK
Bangia fuscopurpurea	-	KNApSAcK
Bison bison	FooDB	FooDB
Bonnemaisonia hamifera	-	KNApSAcK
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Brassica rapa ssp. chinensis	Plant	KNApSAcK
Bubalus bubalis	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Capra aegagrus hircus	FooDB	FooDB
Capsicum annuum	FooDB	The World Healthiest Foods
Caragana arborescens	Plant	KNApSAcK
Carassius auratus	Animalia	KNApSAcK
Carica papaya L.	Plant	KNApSAcK
Celastrus orbiculatus	LOTUS Database	35616633
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Chaetomorpha crassa	LOTUS Database	35616633
Chara globularis	LOTUS Database	35616633
Chlamydomonas reinhardtii	LOTUS Database	35616633
Citrus aurantium	Plant	KNApSAcK
Citrus reticulata	Plant	KNApSAcK
Cladonia furcata	LOTUS Database	35616633
Coffea canephora	LOTUS Database	35616633
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Corbicula japonica	Plant	KNApSAcK
Corbicula sandai	Plant	KNApSAcK
Corynebacterium autotrophicum	LOTUS Database	35616633
Crocus sativus	Plant	KNApSAcK
Cryptomonas ovata	LOTUS Database	35616633
Ctenopharyngodon idella	LOTUS Database	35616633
Cucurbita maxima	LOTUS Database	35616633
Cyanidioschyzon merolae	LOTUS Database	35616633
Cycas revoluta	Plant	KNApSAcK
Daucus carota	Plant	KNApSAcK
Delonix regia	Plant	KNApSAcK
Dioscorea bulbifera	Plant	KNApSAcK
Diospyros kaki	LOTUS Database	35616633
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Erythrobacter longus	LOTUS Database	35616633
Erythrotrichia carnea	LOTUS Database	35616633
Eschscholzia californica	LOTUS Database	35616633
Euglena gracilis	LOTUS Database	35616633
Flavobacterium sp. R-1560	Bacteria	KNApSAcK
Fucus serratus	LOTUS Database	35616633
Fucus vesiculosus	Plant	KNApSAcK
Galleria mellonella	LOTUS Database	35616633
Gallus gallus	FooDB	FooDB
Gardenia jasminoides	Plant	KNApSAcK
Gelliodes callista	LOTUS Database	35616633
Gigartina stellata	-	KNApSAcK
Gymnocarpium dryopteris	LOTUS Database	35616633
Halocynthia roretzi	LOTUS Database	35616633
Hemerocallis fulva	LOTUS Database	35616633
Hippophae rhamnoides	Plant	KNApSAcK
Homo sapiens	LOTUS Database	35616633
Ianthella flabelliformis	LOTUS Database	35616633
Ictalurus punctatus	Animalia	KNApSAcK
Lagopus muta	FooDB	FooDB
Laminaria digitata	LOTUS Database	35616633
Lemna aequinoctialis	LOTUS Database	35616633
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Lilium hansonii	Plant	KNApSAcK
Linckia laevigata	LOTUS Database	35616633
Lupinus angustifolius	LOTUS Database	35616633
Lycium barbarum	Plant	KNApSAcK
Lycium chinense	Plant	KNApSAcK
Mangifera indica	Plant	KNApSAcK
Mastocarpus stellatus	LOTUS Database	35616633
Medicago arabica	Plant	KNApSAcK
Medicago cancellata	Plant	KNApSAcK
Medicago carstiensis	Plant	KNApSAcK
Medicago cretacea	Plant	KNApSAcK
Medicago daghestanica	Plant	KNApSAcK
Medicago glomerata	Plant	KNApSAcK
Medicago hybrida	Plant	KNApSAcK
Medicago marina	Plant	KNApSAcK
Medicago papillosa	Plant	KNApSAcK
Medicago pironae	Plant	KNApSAcK
Medicago prostrata	Plant	KNApSAcK
Medicago rupestris	Plant	KNApSAcK
Medicago ruthenica	Plant	KNApSAcK
Medicago sativa	Plant	KNApSAcK
Medicago saxatilis	Plant	KNApSAcK
Medicago suffruticosa	Plant	KNApSAcK
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Metasequoia glyptostroboides	LOTUS Database	35616633
Momordica charantia	Plant	KNApSAcK
Nannochloropsis oculata	LOTUS Database	35616633
Nemalion helminthoides	-	KNApSAcK
Nephroma arcticum	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Olisthodiscus luteus	LOTUS Database	35616633
Oryctolagus	FooDB	FooDB
Oscillatoria limosa	LOTUS Database	35616633
Ovis aries	FooDB	FooDB
Pandanus tectorius	Plant	KNApSAcK
Pantoea agglomerans	Bacteria	KNApSAcK
Pantoea ananatis	Bacteria	KNApSAcK
Panzerina lanata	LOTUS Database	35616633
Paralithodes brevipes	LOTUS Database	35616633
Pelteobagrus nudiceps	Animalia	KNApSAcK
Phaeodactylum tricornutum	Chromalveolata	KNApSAcK
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Phodymenia palmata	-	KNApSAcK
Phormidium ectocarpi	LOTUS Database	35616633
Physalis alkekengi	Plant	KNApSAcK
Picea abies	LOTUS Database	35616633
Planktothrix agardhii	LOTUS Database	35616633
Polysiphonia brodiaei	--	KNApSAcK
Polysiphonia urceolata	--	KNApSAcK
Porphyridium aerugineum	LOTUS Database	35616633
Prochlorococcus marinus	LOTUS Database	35616633
Prochlorothrix hollandica	LOTUS Database	35616633
Prunus armeniaca	LOTUS Database	35616633
Prunus persica	LOTUS Database	35616633
Pyrus communis	LOTUS Database	35616633
Ramalina capitata	LOTUS Database	35616633
Raphanus sativus	Plant	KNApSAcK
Rosa canina	LOTUS Database	35616633
Rosa foetida	Plant	KNApSAcK
Rosa villosa	LOTUS Database	35616633
Salvelinus alpinus	LOTUS Database	35616633
Sandersonia aurantiaca	LOTUS Database	35616633
Secale cereale	LOTUS Database	35616633
Silurus asotus	Animalia	KNApSAcK
Silurus microdorsalis	Animalia	KNApSAcK
Solanum lycopersicum	FooDB	USDA
Solanum lycopersicum var. lycopersicum	FooDB	USDA
Solanum tuberosum	Plant	KNApSAcK
Stelletta clavosa	LOTUS Database	35616633
Struthio camelus	FooDB	FooDB
Styela clava	LOTUS Database	35616633
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Synechococcus leopoliensis	LOTUS Database	35616633
Thalassiosiria pseudonana	-	KNApSAcK
Thermus filiformis	LOTUS Database	35616633
Thomandersia laurifolia	LOTUS Database	35616633
Trididemnum solidum	LOTUS Database	35616633
Triticum aestivum	Plant	KNApSAcK
Vaccinium myrtillus	LOTUS Database	35616633
Vicia articulata	Plant	KNApSAcK
Vicia ervilia	Plant	KNApSAcK
Vicia sativa	Plant	KNApSAcK
Vicia villosa	Plant	KNApSAcK
Vitis vinifera	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633
Zea mays L.	Plant	KNApSAcK

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
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

carotenol (CHEBI:27547 )
C40 isoprenoids (tetraterpenes) (C06098 )
Carotenoids (C06098 )
C40 isoprenoids (tetraterpenes) (LMPR01070261 )

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	8.3	ALOGPS
logP	8.35	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	18.91	ChemAxon
pKa (Strongest Basic)	-0.79	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	10	ChemAxon
Refractivity	194.95 m³·mol⁻¹	ChemAxon
Polarizability	73.47 Å³	ChemAxon
Number of Rings	2	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

HMDB0002789

DrugBank ID

DB11176

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023113

KNApSAcK ID

C00000931

Chemspider ID

Not Available

KEGG Compound ID

C06098

BioCyc ID

CPD1F-130

BiGG ID

Not Available

Wikipedia Link

Zeaxanthin

METLIN ID

Not Available

PubChem Compound

5280899

PDB ID

Not Available

ChEBI ID

27547

Good Scents ID

Not Available

References

General References

Wenzel AJ, Gerweck C, Barbato D, Nicolosi RJ, Handelman GJ, Curran-Celentano J: A 12-wk egg intervention increases serum zeaxanthin and macular pigment optical density in women. J Nutr. 2006 Oct;136(10):2568-73. doi: 10.1093/jn/136.10.2568. [PubMed:16988128 ]
Rapp LM, Maple SS, Choi JH: Lutein and zeaxanthin concentrations in rod outer segment membranes from perifoveal and peripheral human retina. Invest Ophthalmol Vis Sci. 2000 Apr;41(5):1200-9. [PubMed:10752961 ]
Khachik F, Bernstein PS, Garland DL: Identification of lutein and zeaxanthin oxidation products in human and monkey retinas. Invest Ophthalmol Vis Sci. 1997 Aug;38(9):1802-11. [PubMed:9286269 ]
Handelman GJ, Nightingale ZD, Lichtenstein AH, Schaefer EJ, Blumberg JB: Lutein and zeaxanthin concentrations in plasma after dietary supplementation with egg yolk. Am J Clin Nutr. 1999 Aug;70(2):247-51. doi: 10.1093/ajcn.70.2.247. [PubMed:10426702 ]
Dasch B, Fuhs A, Schmidt J, Behrens T, Meister A, Wellmann J, Fobker M, Pauleikhoff D, Hense HW: Serum levels of macular carotenoids in relation to age-related maculopathy: the Muenster Aging and Retina Study (MARS). Graefes Arch Clin Exp Ophthalmol. 2005 Oct;243(10):1028-35. doi: 10.1007/s00417-005-1176-z. Epub 2005 Oct 20. [PubMed:15909159 ]

Showing NP-Card for Zeaxanthin (NP0044284)

MOL for NP0044284 (Zeaxanthin)

3D MOL for NP0044284 (Zeaxanthin)

3D SDF for NP0044284 (Zeaxanthin)

3D-SDF for NP0044284 (Zeaxanthin)

PDB for NP0044284 (Zeaxanthin)

3D PDB for NP0044284 (Zeaxanthin)

SMILES for NP0044284 (Zeaxanthin)

INCHI for NP0044284 (Zeaxanthin)

Structure for NP0044284 (Zeaxanthin)

3D Structure for NP0044284 (Zeaxanthin)