NP-MRD: Showing NP-Card for flexirubin (NP0321599)

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Record Information

Version

2.0

Created at

2022-09-11 23:53:30 UTC

Updated at

2022-09-11 23:53:30 UTC

NP-MRD ID

NP0321599

Secondary Accession Numbers

None

Natural Product Identification

Common Name

flexirubin

Description

Flexirubin belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. flexirubin was first documented in 2022 (PMID: 35513460). Based on a literature review a small amount of articles have been published on Flexirubin (PMID: 35511036) (PMID: 35466417) (PMID: 35436475) (PMID: 35329521).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122201532D          

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M  END

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 41 95  1  0
 42 96  1  0
 44 97  1  0
 46 98  1  0
 46 99  1  0
 46100  1  0
 47101  1  0
M  END


  Mrv1652309122201532D          

 47 48  0  0  0  0            999 V2000
    8.1612  -16.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737  -17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987  -17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8112  -18.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6362  -18.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487  -18.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8737  -18.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862  -19.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112  -19.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237  -18.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112  -18.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237  -17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112  -16.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862  -16.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8737  -17.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8737  -15.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862  -15.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8737  -14.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112  -15.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237  -15.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487  -15.8961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612  -15.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487  -14.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862  -15.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987  -14.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8237  -14.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362  -13.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0612  -13.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737  -13.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2987  -13.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112  -12.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5362  -12.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487  -11.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7737  -11.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1862  -10.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0112  -10.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237  -10.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487  -10.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6612   -9.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4862   -9.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8987   -8.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7237   -8.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362   -9.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9612   -9.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7237  -10.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362  -10.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8987  -10.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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 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
 19 20  2  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  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 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 40 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321599

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCC1=C(O)C=C(C)C=C1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1=CC=C(O)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C43H54O4/c1-4-5-6-7-8-9-17-20-23-26-29-39-41(45)33-36(2)34-42(39)47-43(46)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-40(44)37(3)35-38/h10-16,18-19,21-22,24-25,27-28,30-35,44-45H,4-9,17,20,23,26,29H2,1-3H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,28-25+,30-27+

> <INCHI_KEY>
GFNJWVBJKYYUIN-CMUOTRNOSA-N

> <FORMULA>
C43H54O4

> <MOLECULAR_WEIGHT>
634.901

> <EXACT_MASS>
634.402210219

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
81.60174817174395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-dodecyl-3-hydroxy-5-methylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate

> <JCHEM_LOGP>
13.687170651

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.020402643792988

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.340270646784974

> <JCHEM_PKA_STRONGEST_BASIC>
-5.93525950516602

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
209.53320000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-dodecyl-3-hydroxy-5-methylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      15.234 -31.006   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004 -32.340   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.544 -32.340   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.314 -33.674   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.854 -33.674   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.624 -35.007   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.164 -35.007   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.934 -36.341   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.474 -36.341   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.244 -35.007   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      24.474 -33.674   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      25.244 -32.340   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.474 -31.006   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      22.934 -31.006   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      22.164 -32.340   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      22.164 -29.673   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.934 -28.339   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.164 -27.005   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      24.474 -28.339   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.244 -29.673   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      26.784 -29.673   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      27.554 -28.339   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      26.784 -27.005   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      29.094 -28.339   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.864 -27.005   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      31.404 -27.005   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      32.174 -25.672   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      33.714 -25.672   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      34.484 -24.338   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      36.024 -24.338   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      36.794 -23.004   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      38.334 -23.004   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      39.104 -21.671   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      40.644 -21.671   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      41.414 -20.337   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      42.954 -20.337   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      43.724 -19.003   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      45.264 -19.003   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      46.034 -17.670   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      47.574 -17.670   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      48.344 -16.336   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      49.884 -16.336   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      50.654 -17.670   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      52.194 -17.670   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      49.884 -19.003   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      50.654 -20.337   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      48.344 -19.003   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   13   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   47                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   40                                                       
MASTER        0    0    0    0    0    0    0    0   47    0   96    0
END

View in JSmol

Synonyms

Value	Source
Flexirubins	MeSH

Chemical Formula

C₄₃H₅₄O₄

Average Mass

634.9010 Da

Monoisotopic Mass

634.40221 Da

IUPAC Name

2-dodecyl-3-hydroxy-5-methylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate

Traditional Name

2-dodecyl-3-hydroxy-5-methylphenyl (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCC1=C(O)C=C(C)C=C1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1=CC=C(O)C(C)=C1

InChI Identifier

InChI=1S/C43H54O4/c1-4-5-6-7-8-9-17-20-23-26-29-39-41(45)33-36(2)34-42(39)47-43(46)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-40(44)37(3)35-38/h10-16,18-19,21-22,24-25,27-28,30-35,44-45H,4-9,17,20,23,26,29H2,1-3H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,28-25+,30-27+

InChI Key

GFNJWVBJKYYUIN-CMUOTRNOSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol esters

Sub Class

Not Available

Direct Parent

Phenol esters

Alternative Parents

Substituents

Phenol ester
Phenoxy compound
M-cresol
O-cresol
Styrene
Fatty acid ester
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Toluene
Monocyclic benzene moiety
Fatty acyl
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	13.69	ChemAxon
pKa (Strongest Acidic)	9.34	ChemAxon
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	209.53 m³·mol⁻¹	ChemAxon
Polarizability	81.6 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4952920

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Flexirubin

METLIN ID

Not Available

PubChem Compound

6450309

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Shi S, Yang L, Jiang M, Wang Y, Zhou Y, Prathepha P, Ihsan YN: Pontibacter qinzhouensis sp. nov., isolated from rhizosphere soil of a mangrove plant Rhizophora stylosa. Arch Microbiol. 2022 May 5;204(6):298. doi: 10.1007/s00203-022-02808-x. [PubMed:35513460 ]
Heidler von Heilborn D, Nover LL, Weber M, Holzl G, Gisch N, Waldhans C, Mittler M, Kreyenschmidt J, Woehle C, Huttel B, Lipski A: Polar lipid characterization and description of Chryseobacterium capnotolerans sp. nov., isolated from high CO2-containing atmosphere and emended descriptions of the genus Chryseobacterium, and the species C. balustinum, C. daecheongense, C. formosense, C. gleum, C. indologenes, C. joostei, C. scophthalmum and C. ureilyticum. Int J Syst Evol Microbiol. 2022 May;72(5). doi: 10.1099/ijsem.0.005372. [PubMed:35511036 ]
Harrison CE, Knupp CK, Brenden TO, Ebener MP, Loch TP: First isolation of Flavobacterium psychrophilum from wild adult Great Lakes lake whitefish (Coregonus clupeaformis). J Fish Dis. 2022 Jul;45(7):1023-1032. doi: 10.1111/jfd.13626. Epub 2022 Apr 25. [PubMed:35466417 ]
Mogadem A, Naqvi A, Almamary MA, Ahmad WA, Jemon K, El-Alfy SH: Hepatoprotective effects of flexirubin, a novel pigment from Chryseobacterium artocarpi, against carbon tetrachloride-induced liver injury: An in vivo study and molecular modeling. Toxicol Appl Pharmacol. 2022 Jun 1;444:116022. doi: 10.1016/j.taap.2022.116022. Epub 2022 Apr 15. [PubMed:35436475 ]
Amorim LFA, Fangueiro R, Gouveia IC: Characterization of Bioactive Colored Materials Produced from Bacterial Cellulose and Bacterial Pigments. Materials (Basel). 2022 Mar 11;15(6). pii: ma15062069. doi: 10.3390/ma15062069. [PubMed:35329521 ]
LOTUS database [Link]

Showing NP-Card for flexirubin (NP0321599)

MOL for NP0321599 (flexirubin)

3D MOL for NP0321599 (flexirubin)

3D SDF for NP0321599 (flexirubin)

3D-SDF for NP0321599 (flexirubin)

PDB for NP0321599 (flexirubin)

3D PDB for NP0321599 (flexirubin)

SMILES for NP0321599 (flexirubin)

INCHI for NP0321599 (flexirubin)

Structure for NP0321599 (flexirubin)

3D Structure for NP0321599 (flexirubin)