NP-MRD: Showing NP-Card for 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol (NP0294419)

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Record Information

Version

2.0

Created at

2022-09-10 02:56:57 UTC

Updated at

2022-09-10 02:56:57 UTC

NP-MRD ID

NP0294419

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol

Description

5-{4-[6-(4-{6-[2,6-Dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy}-2,6-dihydroxyphenoxy)-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy}-4-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]benzene-1,2,3-triol belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol is found in Carpophyllum angustifolium, Carpophyllum maschalocarpum, Landsburgia quercifolia and Sargassum spinuligerum. 5-{4-[6-(4-{6-[2,6-Dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy}-2,6-dihydroxyphenoxy)-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy}-4-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]benzene-1,2,3-triol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241507182D          

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M  END

     RDKit          3D

123131  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004241507182D          

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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
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 48 50  2  0  0  0  0
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 50 52  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0294419

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C(OC2=CC(O)=C(OC3=CC(O)=C(O)C(O)=C3OC3=CC(O)=C(OC4=CC(O)=C(O)C(O)=C4OC4=CC(O)=C(OC5=CC(O)=C(O)C(O)=C5OC5=CC(O)=C(OC6=CC(O)=C(O)C(O)=C6)C(O)=C5)C(O)=C4)C(O)=C3)C(O)=C2)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C54H38O31/c55-16-1-27(61)47(28(62)2-16)79-18-5-31(65)49(32(66)6-18)83-38-14-25(59)42(73)45(76)53(38)81-20-9-35(69)51(36(70)10-20)85-39-15-26(60)43(74)46(77)54(39)82-21-11-33(67)50(34(68)12-21)84-37-13-24(58)41(72)44(75)52(37)80-19-7-29(63)48(30(64)8-19)78-17-3-22(56)40(71)23(57)4-17/h1-15,55-77H

> <INCHI_KEY>
NURBWYXSDBYABS-UHFFFAOYSA-N

> <FORMULA>
C54H38O31

> <MOLECULAR_WEIGHT>
1182.867

> <EXACT_MASS>
1182.139704444

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_ATOM_COUNT>
123

> <JCHEM_AVERAGE_POLARIZABILITY>
108.4435065367725

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
23

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol

> <ALOGPS_LOGP>
4.69

> <JCHEM_LOGP>
6.993540881666667

> <ALOGPS_LOGS>
-4.08

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-5

> <JCHEM_PKA>
6.259044991147546

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.785820743862219

> <JCHEM_PKA_STRONGEST_BASIC>
-6.1023957779313855

> <JCHEM_POLAR_SURFACE_AREA>
539.1300000000002

> <JCHEM_REFRACTIVITY>
281.5451

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.74e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
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HETATM   36  C   UNK     0     -45.345 -32.340   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0     -46.679 -33.110   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0     -44.011 -33.110   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -44.011 -34.650   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -45.345 -35.420   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -45.345 -36.960   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -46.679 -37.730   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -46.679 -39.270   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0     -48.012 -36.960   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0     -49.346 -37.730   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0     -50.680 -36.960   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -50.680 -35.420   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -52.013 -34.650   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0     -52.013 -33.110   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0     -53.347 -35.420   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0     -54.681 -34.650   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0     -53.347 -36.960   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0     -54.681 -37.730   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0     -52.013 -37.730   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0     -52.013 -39.270   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0     -53.347 -40.040   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0     -53.347 -41.580   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -54.681 -42.350   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0     -54.681 -43.890   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0     -56.015 -41.580   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0     -57.348 -42.350   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0     -57.348 -43.890   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0     -56.015 -44.660   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0     -56.015 -46.200   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0     -54.681 -46.970   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0     -57.348 -46.970   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0     -57.348 -48.510   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0     -58.682 -46.200   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0     -60.016 -46.970   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0     -58.682 -44.660   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0     -56.015 -40.040   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0     -57.348 -39.270   0.000  0.00  0.00           O+0
HETATM   73  C   UNK     0     -54.681 -39.270   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0     -48.012 -35.420   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0     -49.346 -34.650   0.000  0.00  0.00           O+0
HETATM   76  C   UNK     0     -46.679 -34.650   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0     -40.010 -30.800   0.000  0.00  0.00           C+0
HETATM   78  O   UNK     0     -41.344 -30.030   0.000  0.00  0.00           O+0
HETATM   79  C   UNK     0     -38.677 -30.030   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0     -32.008 -26.180   0.000  0.00  0.00           C+0
HETATM   81  O   UNK     0     -33.342 -25.410   0.000  0.00  0.00           O+0
HETATM   82  C   UNK     0     -30.675 -25.410   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0     -29.341 -23.100   0.000  0.00  0.00           C+0
HETATM   84  O   UNK     0     -30.675 -23.870   0.000  0.00  0.00           O+0
HETATM   85  C   UNK     0     -29.341 -21.560   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   85                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   83                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   82                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   80                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   14   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   79                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   77                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   38                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   30   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   76                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   74                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   54                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   46   55                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   73                                                  
CONECT   57   56   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61   71                                                  
CONECT   61   60   62                                                       
CONECT   62   61   63   70                                                  
CONECT   63   62   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69   70                                                  
CONECT   69   68                                                            
CONECT   70   68   62                                                       
CONECT   71   60   72   73                                                  
CONECT   72   71                                                            
CONECT   73   71   56                                                       
CONECT   74   44   75   76                                                  
CONECT   75   74                                                            
CONECT   76   74   40                                                       
CONECT   77   28   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77   24                                                       
CONECT   80   12   81   82                                                  
CONECT   81   80                                                            
CONECT   82   80    8                                                       
CONECT   83    6   84   85                                                  
CONECT   84   83                                                            
CONECT   85   83    2                                                       
MASTER        0    0    0    0    0    0    0    0   85    0  186    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₄H₃₈O₃₁

Average Mass

1182.8670 Da

Monoisotopic Mass

1182.13970 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

OC1=CC(O)=C(OC2=CC(O)=C(OC3=CC(O)=C(O)C(O)=C3OC3=CC(O)=C(OC4=CC(O)=C(O)C(O)=C4OC4=CC(O)=C(OC5=CC(O)=C(O)C(O)=C5OC5=CC(O)=C(OC6=CC(O)=C(O)C(O)=C6)C(O)=C5)C(O)=C4)C(O)=C3)C(O)=C2)C(O)=C1

InChI Identifier

InChI=1S/C54H38O31/c55-16-1-27(61)47(28(62)2-16)79-18-5-31(65)49(32(66)6-18)83-38-14-25(59)42(73)45(76)53(38)81-20-9-35(69)51(36(70)10-20)85-39-15-26(60)43(74)46(77)54(39)82-21-11-33(67)50(34(68)12-21)84-37-13-24(58)41(72)44(75)52(37)80-19-7-29(63)48(30(64)8-19)78-17-3-22(56)40(71)23(57)4-17/h1-15,55-77H

InChI Key

NURBWYXSDBYABS-UHFFFAOYSA-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
Carpophyllum angustifolium	LOTUS Database	35616633
Carpophyllum maschalocarpum	LOTUS Database	35616633
Landsburgia quercifolia	LOTUS Database	35616633
Sargassum spinuligerum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Not Available

Direct Parent

Tannins

Alternative Parents

Substituents

Tannin
Diphenylether
Diaryl ether
Benzenetriol
Phloroglucinol derivative
Pyrogallol derivative
Resorcinol
Phenol ether
Phenoxy compound
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Polyol
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
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	4.69	ALOGPS
logP	6.99	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	5.79	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	-5	ChemAxon
Hydrogen Acceptor Count	23	ChemAxon
Hydrogen Donor Count	23	ChemAxon
Polar Surface Area	539.13 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	281.55 m³·mol⁻¹	ChemAxon
Polarizability	108.44 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol (NP0294419)

MOL for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

3D MOL for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

3D SDF for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

3D-SDF for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

PDB for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

3D PDB for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

SMILES for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

INCHI for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

Structure for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)

3D Structure for NP0294419 (5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-{4-[2-(4-{2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy}-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,2,3-triol)