NP-MRD: Showing NP-Card for phytofluene (NP0266186)

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Record Information

Version

2.0

Created at

2022-09-08 10:26:29 UTC

Updated at

2022-09-08 10:26:29 UTC

NP-MRD ID

NP0266186

Secondary Accession Numbers

None

Natural Product Identification

Common Name

phytofluene

Description

Phytofluene, also known as (15Z)-phytofluene, 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. Phytofluene is possibly neutral. It is the second product of carotenoid biosynthesis. Phytofluene exists in all living organisms, ranging from bacteria to humans. In contrast to all other carotenoids, phytoene and phytofluene, the first carotenoid precursors in the biosynthetic pathway of other carotenoids absorb light in the UV range. It is formed from phytoene in a desaturation reaction leading to the formation of five conjugated double bonds. Phytofluene is a colorless carotenoid found naturally in tomatoes and other vegetables. Phytofluene has an absorption spectra in the UVA range, with maximal absorption at 348 nm and with ε1% of 1557. The accumulation of these carotenoids may protect the skin by several mechanisms: Acting as UV absorbers, as antioxidants, as anti-inflammatory agents. Dietary phytoene and phytofluene are accumulated in human skin. Analysis of several fruits and vegetables showed that phytoene and phytofluene are found in majority of fruits and vegetables. phytofluene is found in Acacia acuminata, Brassica napus, Calendula officinalis, Celastrus orbiculatus, Chlorella vulgaris, Citrus maxima, Citrus paradisi, Citrus reticulata, Crocus sativus, Diospyros kaki, Lonicera japonica, Medicago sativa, Pantoea ananatis, Passiflora edulis, Psidium guajava, Rhodomicrobium vannielii, Rhodospirillum rubrum, Rhodotorula glutinis, Rosa villosa and Streptomyces griseus. phytofluene was first documented in 2005 (PMID: 15830922). In the following step, addition of carbon-carbon conjugated double bonds leads to the formation of z-carotene and appearance of visible color.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652307191923412D          

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M  END

     RDKit          3D

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M  END


  Mrv1652307191923412D          

 40 39  0  0  0  0            999 V2000
10010.741410005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.025910005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.312310005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.596810005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.881210005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.167810005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.452110005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.627110005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.912210005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.195310005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.480610005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.765910005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.051110005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.336210005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.621510005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.906710005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.191910005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.477010005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.762210005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.047510005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.332810005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.618110005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.903110005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.618110006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.477010006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.336210006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.195310006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.881210006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.454910005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.170510005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.886010005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.599510005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.315110005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.030710005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.744110005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10016.459810005.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10017.175310005.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10016.459810006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.599510006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.741410006.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 29  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 39  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
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266186

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

> <INCHI_KEY>
OVSVTCFNLSGAMM-DGFSHVNOSA-N

> <FORMULA>
C40H62

> <MOLECULAR_WEIGHT>
542.9203

> <EXACT_MASS>
542.485151984

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
73.3782273485612

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
9.56

> <JCHEM_LOGP>
13.017596789333332

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
194.45620000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.55e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phytofluene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-JUL-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUL-19         0                                  
HETATM    1  C   UNK     0    8686.7178677.610   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8685.3828676.841   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8684.0508677.610   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8682.7148676.841   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8681.3788677.610   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8680.0478676.841   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8678.7118677.610   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8677.1718677.610   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8675.8368676.841   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8674.4988677.610   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8673.1648676.841   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8671.8308677.610   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8670.4958676.841   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8669.1618677.610   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.8278676.841   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8666.4938677.610   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.1588676.841   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8663.8248677.610   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8662.4898676.841   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8661.1558677.610   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8659.8218676.841   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8658.4878677.610   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8657.1528676.841   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8658.4878679.151   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8663.8248679.151   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8669.1618679.151   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8674.4988679.151   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8681.3788679.151   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8688.0498676.841   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8689.3858677.610   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8690.7218676.841   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8692.0528677.610   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8693.3888676.841   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8694.7248677.610   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8696.0568676.841   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8697.3928677.610   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8698.7278676.841   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8697.3928679.151   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8692.0528679.151   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8686.7178679.151   0.000  0.00  0.00           C+0
CONECT    1    2   29   40                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   28                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   26                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   18                                                            
CONECT   26   14                                                            
CONECT   27   10                                                            
CONECT   28    5                                                            
CONECT   29    1   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   32                                                            
CONECT   40    1                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Value	Source
(12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene	ChEBI
(15Z)-Phytofluene	HMDB
15-cis-7,7',8,8',11,12-Hexahydro-psi,psi-carotene	HMDB
15-cis-7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene	HMDB
15-cis-7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene	HMDB
15-cis-Phytofluene	HMDB
7,7',8,8',11,12-Hexahydro-psi,psi-carotene	HMDB
7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene	HMDB
7,7',8,8',11,12-Hexahydrolycopene	HMDB
7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene	HMDB
7,7’,8,8’,11,12-hexahydrolycopene	HMDB
cis-Phytofluene	HMDB
Phytofluene	ChEBI

Chemical Formula

C₄₀H₆₂

Average Mass

542.9203 Da

Monoisotopic Mass

542.48515 Da

IUPAC Name

(6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

Traditional Name

phytofluene

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C

InChI Identifier

InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChI Key

OVSVTCFNLSGAMM-DGFSHVNOSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Acacia acuminata	LOTUS Database	35616633
Brassica napus	LOTUS Database	35616633
Calendula officinalis	LOTUS Database	35616633
Celastrus orbiculatus	LOTUS Database	35616633
Chlorella vulgaris	LOTUS Database	35616633
Citrus maxima	LOTUS Database	35616633
Citrus paradisi	LOTUS Database	35616633
Citrus reticulata	LOTUS Database	35616633
Crocus sativus	LOTUS Database	35616633
Diospyros kaki	LOTUS Database	35616633
Lonicera japonica	LOTUS Database	35616633
Medicago sativa	LOTUS Database	35616633
Pantoea ananatis	LOTUS Database	35616633
Passiflora edulis	LOTUS Database	35616633
Psidium guajava	LOTUS Database	35616633
Rhodomicrobium vannielii	LOTUS Database	35616633
Rhodospirillum rubrum	LOTUS Database	35616633
Rhodotorula glutinis	LOTUS Database	35616633
Rosa villosa	LOTUS Database	35616633
Streptomyces griseus	LOTUS Database	35616633

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
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Acyclic olefin
Hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

phytofluene (CHEBI:35165 )

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	9.56	ALOGPS
logP	13.02	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	19	ChemAxon
Refractivity	194.46 m³·mol⁻¹	ChemAxon
Polarizability	73.38 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

HMDB0002871

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022937

KNApSAcK ID

Not Available

Chemspider ID

5256893

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Phytofluene

METLIN ID

Not Available

PubChem Compound

6857557

PDB ID

Not Available

ChEBI ID

35165

Good Scents ID

Not Available

References

General References

Aust O, Stahl W, Sies H, Tronnier H, Heinrich U: Supplementation with tomato-based products increases lycopene, phytofluene, and phytoene levels in human serum and protects against UV-light-induced erythema. Int J Vitam Nutr Res. 2005 Jan;75(1):54-60. doi: 10.1024/0300-9831.75.1.54. [PubMed:15830922 ]
LOTUS database [Link]

Showing NP-Card for phytofluene (NP0266186)

MOL for NP0266186 (phytofluene)

3D MOL for NP0266186 (phytofluene)

3D SDF for NP0266186 (phytofluene)

3D-SDF for NP0266186 (phytofluene)

PDB for NP0266186 (phytofluene)

3D PDB for NP0266186 (phytofluene)

SMILES for NP0266186 (phytofluene)

INCHI for NP0266186 (phytofluene)

Structure for NP0266186 (phytofluene)

3D Structure for NP0266186 (phytofluene)