NP-MRD: Showing NP-Card for Carotene (NP0045024)

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Record Information

Version

2.0

Created at

2022-03-10 18:52:55 UTC

Updated at

2022-03-10 22:19:46 UTC

NP-MRD ID

NP0045024

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Carotene

Description

Alpha carotene belongs to the group of compounds known as carotenoids. More specifically carotenoids are classified as tetraterpenoids, being built from four terpene units (8 isoprene units) each containing 10 carbon atoms. As a result, carotenoids typically have a total of 40 carbon atoms. 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. There are more than 1100 known carotenoids. Carotenoids can be further categorized into two classes, xanthophylls (which contain oxygen) and carotenes (which are purely hydrocarbons and contain no oxygen). Carotenoids are among the most common pigments in nature and are natural lipid soluble antioxidants. Alpha-carotene is one of the primary isomers of carotene, although Beta-carotene is the most abundant. There are six known carotene isomers including alpha-, beta-, gamma-, ≈í¬•-, ≈í¬µ-, and ≈í‚àÇ-carotene. These carotene isomers contain unsubstituted beta-ionone rings, which means they can be readily converted to retinol and vitamin A. In other words, they have pro-vitamin A activity. Alpha-carotene has less vitamin A activity than Beta-Carotene. This is because of its structure, as Alpha-carotene it is converted to just one molecule of biologically active retinol after central cleavage, while Beta-carotene is converted to two molecules after cleavage. Plants, fungi, and photosynthetic bacteria synthesize carotenes, while animals must obtain them as a dietary nutrient. In plants carotenes contribute to photosynthesis by transmitting the light energy they absorb to chlorophyll. They also protect plant tissues by helping to absorb the energy from singlet oxygen, an excited form of the oxygen molecule O2 which is formed during photosynthesis. Alpha-carotene is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Alpha-carotene is found in many common orange-, yellow-, and green-colored fruits and vegetables such as carrots, pumpkins, squash, apricots, sweet potatoes, and beans. The concentration of alpha-Carotene is especially high in orange carrots and high serum concentrations are associated with high carrot intake. Other plants and foods that have high levels of alpha-carotene include cloves, shallots, cumin, wolfberries, cantaloupes, papaya, spinach, broccoli, turnip, avocado, green peas, orange and red peppers, and tomatoes. Alpha-carotene (along with beta-carotene) exhibits numerous beneficial health or pharmacological properties including antioxidant, anti-obesity, anti-cancer, anti-aging, anti-atherosclerotic and anti-sunburn properties as well as hepatoprotective, neuroprotective and improved vision and night blindness prevention ( PMID: 27047317 ). Alpha-carotene is one of a small number of pigments including (beta-carotene and xanthophylls) found in cannabis plants. It was first isolated from hemp leaves and identified as a cannabis constituent in 1969 (PMID: 6991645 ).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306242023402D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306242023402D          

 40 41  0  0  0  0            999 V2000
 9993.943310000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6574 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.371410000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0856 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.371410001.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.995010000.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.044910000.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9433 9998.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.799810000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5140 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.228110000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9444 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.228110001.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.658610000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3736 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.087410000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8011 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.514910000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8011 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.2287 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.944510000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.6583 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.372110000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.6583 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.0858 9999.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.0332 9999.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.9873 9999.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.085810001.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.514210000.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7997 9999.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7997 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5142 9998.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.2287 9998.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.2287 9999.7791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10007.515410001.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.800910001.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.800910000.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.5154 9999.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.229910000.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.229910001.0163    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  2  0  0  0  0
  3  5  1  0  0  0  0
  4  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
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  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
 34  1  1  1  0  0  0
 29  6  1  0  0  0  0
 29  7  1  0  0  0  0
 33  8  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  2  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
 25 37  1  0  0  0  0
 38 26  1  0  0  0  0
 38 27  1  0  0  0  0
 36 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045024

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1

> <INCHI_KEY>
ANVAOWXLWRTKGA-NTXLUARGSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.8726

> <EXACT_MASS>
536.438201792

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
71.41350988165394

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene

> <ALOGPS_LOGP>
9.79

> <JCHEM_LOGP>
11.167738924666667

> <ALOGPS_LOGS>
-6.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
191.87840000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.07e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hi-α

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-20         0                                  
HETATM    1  C   UNK     0    8655.3618667.024   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8656.6948666.253   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8658.0278667.024   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8659.3608666.253   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8658.0278668.565   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8651.7248668.222   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8653.6848668.203   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8655.3618663.946   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8660.6938667.024   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8662.0268666.253   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8663.3598667.024   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8664.6968666.253   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8663.3598668.565   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.0298667.024   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.3648666.253   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8668.6968667.024   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8670.0298666.253   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8671.3618667.024   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8670.0298664.714   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8672.6948666.253   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8674.0308667.024   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8675.3628666.253   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8676.6958667.024   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8675.3628664.714   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8678.0278666.253   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8681.6628665.058   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8679.7108665.073   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8678.0278669.331   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8652.6938667.024   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8651.3598666.254   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8651.3598664.714   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8652.6938663.944   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8654.0278664.714   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8654.0278666.254   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8680.6958669.334   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8679.3628668.564   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8679.3628667.024   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8680.6958666.254   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8682.0298667.024   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8682.0298668.564   0.000  0.00  0.00           C+0
CONECT    1    2   34                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3    9                                                       
CONECT    5    3                                                            
CONECT    6   29                                                            
CONECT    7   29                                                            
CONECT    8   33                                                            
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11   14                                                       
CONECT   13   11                                                            
CONECT   14   12   15                                                       
CONECT   15   14   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   24                                                  
CONECT   23   22   25                                                       
CONECT   24   22                                                            
CONECT   25   23   37                                                       
CONECT   26   38                                                            
CONECT   27   38                                                            
CONECT   28   36                                                            
CONECT   29   30   34    6    7                                             
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34    8                                                  
CONECT   34   29   33    1                                                  
CONECT   35   36   40                                                       
CONECT   36   35   37   28                                                  
CONECT   37   36   38   25                                                  
CONECT   38   37   39   26   27                                             
CONECT   39   38   40                                                       
CONECT   40   35   39                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Value	Source
(+)-alpha-Carotene	ChEBI
alpha-Carotene (natural)	ChEBI
(+)-a-Carotene	Generator
(+)-α-Carotene	Generator
a-Carotene	Generator
α-Carotene	Generator
a-Carotene (natural)	Generator
α-carotene (natural)	Generator
Carotenes	MeSH
Carotenoids	MeSH
alpha-Carotene, (6'R)-isomer	MeSH
alpha-Carotene	MeSH
(6'R)-alpha-Carotene	HMDB
(6'R)-beta,epsilon-Carotene	HMDB
(6'R)-α-Carotene	HMDB
(6'R)-β,ε-Carotene	HMDB
(6’R)-α-Carotene	HMDB
(6’R)-β,ε-Carotene	HMDB
all-trans-alpha-Carotene	HMDB
all-trans-α-Carotene	HMDB
α-Carotene, (6’R)-isomer	HMDB

Chemical Formula

C₄₀H₅₆

Average Mass

536.8726 Da

Monoisotopic Mass

536.43820 Da

IUPAC Name

(6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene

Traditional Name

hi-α

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

InChI Identifier

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1

InChI Key

ANVAOWXLWRTKGA-NTXLUARGSA-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
Abelmoschus esculentus	FooDB	USDA
Abramis brama	FooDB	USDA
Acipenser	FooDB	USDA
Acipenseridae	FooDB	USDA
Actinidia chinensis	FooDB	USDA
Actinidia deliciosa	Plant	KNApSAcK
Actinidia macrosperma	Plant	KNApSAcK
Adiantum venustum	LOTUS Database	35616633
Aesculus hippocastanum	LOTUS Database	35616633
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	USDA
Agelas schmidti	LOTUS Database	35616633
Alhagi persarum	LOTUS Database	35616633
Allium ampeloprasum	FooDB	USDA
Allium ascalonicum	FooDB	USDA
Allium cepa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	USDA
Allium schoenoprasum	FooDB	USDA
Allium tuberosum	FooDB	USDA
Alosa sapidissima	FooDB	USDA
Aloysia triphylla	FooDB	FooDB
Amaranthus	FooDB	USDA
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	USDA
Ananas comosus	FooDB	PHYTOHUB
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	USDA
Anethum graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Angelica keiskei	FooDB	FooDB
Anguilla	FooDB	USDA
Anguilliformes	FooDB	USDA
Annona cherimola	FooDB	USDA
Annona muricata	FooDB	USDA
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anser anser	FooDB	FooDB
Anthriscus cerefolium	FooDB	FooDB
Apium graveolens	FooDB	USDA
Apium graveolens var. dulce	FooDB	USDA
Apium graveolens var. rapaceum	FooDB	USDA
Apium graveolens var. secalinum	FooDB	FooDB
Aplysia punctata	LOTUS Database	35616633
Arabidopsis thaliana	Plant	KNApSAcK
Arachis hypogaea	FooDB	USDA
Arctium lappa	FooDB	USDA
Armoracia rusticana	FooDB	USDA
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	USDA
Artocarpus heterophyllus	FooDB	USDA
Asparagus officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Astacidea	FooDB	USDA
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Averrhoa carambola	FooDB	USDA
Bangia fuscopurpurea	-	KNApSAcK
Basella alba	FooDB	FooDB
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	USDA
Beta vulgaris	FooDB	USDA
Beta vulgaris ssp. cicla	FooDB	USDA
Bison bison	FooDB	USDA
Bonnemaisonia hamifera	-	KNApSAcK
Borago officinalis	FooDB	FooDB
Bos taurus	FooDB	USDA
Bos taurus X Bison bison	FooDB	FooDB
Brassica alboglabra	FooDB	USDA
Brassica juncea	FooDB	USDA
Brassica napus	FooDB	USDA
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	PHYTOHUB
Brassica oleracea var. botrytis	FooDB	USDA
Brassica oleracea var. capitata	FooDB	USDA
Brassica oleracea var. gemmifera	FooDB	PHYTOHUB
Brassica oleracea var. gongylodes	FooDB	USDA
Brassica oleracea var. italica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. sabauda	FooDB	USDA
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	USDA
Brassica rapa ssp. chinensis	FooDB	USDA
Brassica rapa var. pekinensis	FooDB	USDA
Brassica rapa var. rapa	FooDB	USDA
Brassica ruvo	FooDB	FooDB
Brosimum alicastrum	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Buccinidae	FooDB	USDA
Byrsonima crassifolia	FooDB	USDA
Cajanus cajan	FooDB	FooDB
Camellia sasanqua	LOTUS Database	35616633
Canarium ovatum	FooDB	FooDB
Cannabis sativa	NULL	Not Available
Cantharellus cibarius	FooDB	FooDB
Cantharellus lateritius	LOTUS Database	35616633
Capparis spinosa	FooDB	USDA
Capra aegagrus hircus	FooDB	USDA
Capsicum annuum	FooDB	All-Creatures
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Caridea	FooDB	USDA
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	USDA
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	USDA
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceramium rubrum	Plant	KNApSAcK
Ceratonia siliqua	FooDB	USDA
Cervidae	FooDB	USDA
Cervus canadensis	FooDB	USDA
Chamaemelum nobile	FooDB	USDA
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	USDA
Chenopodium quinoa	FooDB	USDA
Chondrus crispus	FooDB	USDA
Chrysanthemum coronarium	FooDB	USDA
Cicer arietinum	FooDB	USDA
Cichlidae	FooDB	USDA
Cichorium endivia	FooDB	PHYTOHUB
Cichorium intybus	FooDB	USDA
Cinnamomum	FooDB	USDA
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Citrullus lanatus	FooDB	PHYTOHUB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	USDA
Citrus aurantiifolia	FooDB	USDA
Citrus latifolia	FooDB	USDA
Citrus limon	FooDB	USDA
Citrus maxima	FooDB	USDA
Citrus paradisi	FooDB	USDA
Citrus reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus sinensis	LOTUS Database	35616633
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cladonia phyllophora	LOTUS Database	35616633
Clupea harengus harengus	FooDB	USDA
Cocos nucifera	FooDB	USDA
Coffea arabica L.	FooDB	USDA
Coffea canephora	FooDB	USDA
Colocasia esculenta	FooDB	USDA
Columba	FooDB	FooDB
Columbidae	FooDB	USDA
Corbicula japonica	Plant	KNApSAcK
Corbicula sandai	Plant	KNApSAcK
Corchorus olitorius	FooDB	FooDB
Coregonus	FooDB	USDA
Coriandrum sativum L.	FooDB	USDA
Corylus	FooDB	USDA
Corylus avellana	FooDB	USDA
Crassostrea gigas	FooDB	USDA
Crassostrea virginica	FooDB	USDA
Crateva religiosa	FooDB	USDA
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	USDA
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	USDA
Cucurbita moschata	FooDB	USDA
Cuminum cyminum	FooDB	USDA
Curcuma longa	FooDB	USDA
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	USDA
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	USDA
Cyprinus carpio	FooDB	USDA
Cystoclonium purpureum	LOTUS Database	35616633
Daucus carota	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	USDA
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	KNAPSACK
Diospyros virginiana	FooDB	FooDB
Dromaius novaehollandiae	FooDB	USDA
Durio zibethinus	FooDB	USDA
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	USDA
Elaeis guineensis	Plant	KNApSAcK
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Engraulidae	FooDB	USDA
Engraulis encrasicolus	FooDB	USDA
Equus caballus	FooDB	FooDB
Eragrostis tef	FooDB	USDA
Eriobotrya japonica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Eruca vesicaria subsp. Sativa	FooDB	USDA
Esox lucius	FooDB	USDA
Eucheuma	FooDB	USDA
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eutrema japonicum	FooDB	USDA
Eutreptiella gymnastica	LOTUS Database	35616633
Fagopyrum esculentum	FooDB	USDA
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	USDA
Ficus carica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	USDA
Fragaria x ananassa	FooDB	FooDB
Gadiformes	FooDB	USDA
Gadus	FooDB	USDA
Gadus macrocephalus	FooDB	USDA
Gadus morhua	FooDB	USDA
Gallus gallus	FooDB	FooDB
Garcinia mangostana	FooDB	FooDB
Gastropoda	FooDB	USDA
Gaylussacia baccata	FooDB	FooDB
Gigartina stellata	-	KNApSAcK
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gossypium	FooDB	FooDB
Grifola frondosa	FooDB	USDA
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	USDA
Hibiscus sabbariffa	FooDB	USDA
Hibiscus syriacus	LOTUS Database	35616633
Hippoglossus	FooDB	USDA
Hippoglossus hippoglossus	FooDB	USDA
Hippoglossus stenolepis	FooDB	USDA
Hippophae rhamnoides	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Homarus americanus	FooDB	USDA
Hoplostethus atlanticus	FooDB	USDA
Hordeum vulgare	FooDB	USDA
Hyssopus officinalis L.	FooDB	FooDB
Ia io	LOTUS Database	35616633
Ictalurus punctatus	FooDB	USDA
Illicium verum	FooDB	FooDB
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	PHYTOHUB
Juglans	FooDB	USDA
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	USDA
Juglans regia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lablab purpureus	FooDB	USDA
Lactuca sativa	FooDB	PHYTOHUB
Lagenaria siceraria	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Laminaria	FooDB	USDA
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	USDA
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	PHYTOHUB
Leporidae	FooDB	USDA
Lepus timidus	FooDB	FooDB
Levisticum officinale	FooDB	FooDB
Linum usitatissimum	FooDB	USDA
Litchi chinensis	FooDB	USDA
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	USDA
Lupinus albus	FooDB	FooDB
Lutjanidae	FooDB	USDA
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	USDA
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	PHYTOHUB
Manihot esculenta	FooDB	USDA
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	USDA
Matricaria recutita	FooDB	USDA
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	USDA
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	USDA
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Merlangius merlangus	FooDB	USDA
Mespilus germanica	FooDB	FooDB
Metasequoia glyptostroboides	LOTUS Database	35616633
Metroxylon sagu	FooDB	FooDB
Micropogonias undulatus	FooDB	USDA
Microstomus kitt	FooDB	USDA
Momordica charantia	FooDB	USDA
Momordica cochinchinensis	Plant	KNApSAcK
Morchellaceae	FooDB	USDA
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Mugil cephalus	FooDB	USDA
Musa acuminata	FooDB	PHYTOHUB
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	USDA
Mytilidae	FooDB	USDA
Mytilus edulis	FooDB	USDA
Nelumbo	FooDB	USDA
Nelumbo nucifera	FooDB	FooDB
Nemalion helminthoides	-	KNApSAcK
Nephelium lappaceum	FooDB	USDA
Nephropidae	FooDB	USDA
Numida meleagris	FooDB	FooDB
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	PHYTOHUB
Octopus vulgaris	FooDB	USDA
Odocoileus	FooDB	FooDB
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	USDA
Oncorhynchus gorbuscha	FooDB	USDA
Oncorhynchus keta	FooDB	USDA
Oncorhynchus kisutch	FooDB	USDA
Oncorhynchus mykiss	FooDB	USDA
Oncorhynchus nerka	FooDB	USDA
Oncorhynchus tshawytscha	FooDB	USDA
Opuntia	FooDB	USDA
Opuntia cochenillifera	FooDB	USDA
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	USDA
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	USDA
Origanum X majoricum	FooDB	USDA
Oryctolagus	FooDB	FooDB
Oryza rufipogon	FooDB	USDA
Oryza sativa	FooDB	USDA
Osmeridae	FooDB	USDA
Osmerus mordax	FooDB	USDA
Ovis aries	FooDB	FooDB
Pachyrhizus erosus	FooDB	USDA
Panax ginseng	FooDB	FooDB
Pandanus tectorius	Plant	KNApSAcK
Pangium edule	FooDB	USDA
Panicum miliaceum	FooDB	USDA
Passiflora edulis	FooDB	USDA
Pastinaca sativa	FooDB	USDA
Pectinidae	FooDB	USDA
Pediomelum esculentum	FooDB	FooDB
Perciformes	FooDB	USDA
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	USDA
Phaseolus vulgaris	FooDB	PHYTOHUB
Phasianidae	FooDB	USDA
Phasianus colchicus	FooDB	FooDB
Phodymenia palmata	-	KNApSAcK
Phoenix dactylifera	FooDB	USDA
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	USDA
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Picea abies	LOTUS Database	35616633
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	USDA
Pinus edulis	FooDB	FooDB
Piper nigrum L.	FooDB	USDA
Pistacia vera	FooDB	PHYTOHUB
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pleuronectiformes	FooDB	USDA
Pleurotus ostreatus	FooDB	USDA
Pollachius pollachius	FooDB	USDA
Polygonum alpinum	FooDB	FooDB
Polysiphonia brodiaei	--	KNApSAcK
Polysiphonia urceolata	--	KNApSAcK
Portulaca oleracea	FooDB	FooDB
Potentilla erecta	LOTUS Database	35616633
Pouteria sapota	FooDB	USDA
Prunus armeniaca	FooDB	PHYTOHUB
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	PHYTOHUB
Prunus dulcis	FooDB	USDA
Prunus persica	FooDB	PHYTOHUB
Prunus persica var. nucipersica	FooDB	PHYTOHUB
Prunus persica var. persica	FooDB	USDA
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	USDA
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	PHYTOHUB
Psophocarpus tetragonolobus	FooDB	USDA
Punica granatum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pyrus communis	FooDB	USDA
Pyrus pyrifolia	FooDB	USDA
Quercus	FooDB	FooDB
Ranidae	FooDB	USDA
Raphanus sativus	FooDB	USDA
Raphanus sativus var. longipinnatus	FooDB	USDA
Raphanus sativus var. sativus	FooDB	FooDB
Reinhardtius hippoglossoides	FooDB	USDA
Reniera japonica	LOTUS Database	35616633
Rheum rhabarbarum	FooDB	USDA
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	FooDB
Ribes rubrum	FooDB	USDA
Ribes uva-crispa	FooDB	USDA
Rosa	FooDB	USDA
Rosa platyacantha	LOTUS Database	35616633
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	USDA
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	PHYTOHUB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Scandix stellata	LOTUS Database	35616633
Scomberomorus maculatus	FooDB	USDA
Scorzonera hispanica	FooDB	FooDB
Sebastes	FooDB	USDA
Sebastes alutus	FooDB	USDA
Secale cereale	FooDB	USDA
Sechium edule	FooDB	USDA
Sesamum indicum	FooDB	USDA
Sesbania bispinosa	FooDB	FooDB
Sinapis alba	FooDB	FooDB
Sisymbrium	FooDB	FooDB
Solanum lycopersicum	FooDB	PHYTOHUB
Solanum lycopersicum var. cerasiforme	FooDB	PHYTOHUB
Solanum lycopersicum var. lycopersicum	FooDB	KNAPSACK
Solanum melongena	FooDB	USDA
Solanum quitoense	FooDB	USDA
Solanum tuberosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Soleidae	FooDB	USDA
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Spirulina	FooDB	USDA
Squaliformes	FooDB	USDA
Stenodus leucichthys	FooDB	USDA
Stenotomus chrysops	FooDB	USDA
Stereocaulon paschale	LOTUS Database	35616633
Strombidae	FooDB	USDA
Struthio camelus	FooDB	USDA
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	USDA
Syzygium aromaticum	FooDB	USDA
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	USDA
Taraxacum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tetragonia tetragonioides	FooDB	FooDB
Teuthida	FooDB	USDA
Thelesperma	FooDB	FooDB
Thunnus albacares	FooDB	USDA
Thunnus thynnus	FooDB	USDA
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	USDA
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Trachinotus carolinus	FooDB	USDA
Trachurus symmetricus	FooDB	USDA
Tragopogon porrifolius	FooDB	FooDB
Trifolium repens	LOTUS Database	35616633
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	USDA
Triticum aestivum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Triticum durum	FooDB	USDA
Triticum spelta	FooDB	USDA
Triticum turanicum	FooDB	USDA
Typha angustifolia	FooDB	USDA
Undaria pinnatifida	FooDB	USDA
Vaccinium	FooDB	FooDB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
Vaccinium ovalifolium	FooDB	USDA
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	FooDB
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	USDA
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	USDA
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna radiata	FooDB	USDA
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	USDA
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Virola surinamensis	FooDB	USDA
Viscum album	LOTUS Database	35616633
Vitis	FooDB	USDA
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	USDA
Vitis vinifera	LOTUS Database	35616633
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Xanthosoma sagittifolium	FooDB	USDA
Xiphias gladius	FooDB	USDA
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zingiber officinale	FooDB	USDA
Zizania	FooDB	USDA
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Carotenes

Alternative Parents

Substituents

Carotene
Branched unsaturated hydrocarbon
Cycloalkene
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

alpha-carotene (CHEBI:35147 )
C40 isoprenoids (tetraterpenes) (LMPR01070011 )

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	9.79	ALOGPS
logP	11.17	ChemAxon
logS	-6.2	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	191.88 m³·mol⁻¹	ChemAxon
Polarizability	71.41 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0003993

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Alpha-Carotene

METLIN ID

6998

PubChem Compound

6419725

PDB ID

Not Available

ChEBI ID

35147

Good Scents ID

Not Available

References

General References

Kim JK: An update on the potential health benefits of carotenes. EXCLI J. 2016 Jan 6;15:1-4. doi: 10.17179/excli2015-664. eCollection 2016. [PubMed:27047317 ]

Showing NP-Card for Carotene (NP0045024)

MOL for NP0045024 (Carotene)

3D MOL for NP0045024 (Carotene)

3D SDF for NP0045024 (Carotene)

3D-SDF for NP0045024 (Carotene)

PDB for NP0045024 (Carotene)

3D PDB for NP0045024 (Carotene)

SMILES for NP0045024 (Carotene)

INCHI for NP0045024 (Carotene)

Structure for NP0045024 (Carotene)

3D Structure for NP0045024 (Carotene)