NP-MRD: Showing NP-Card for 1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol (NP0271306)

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Record Information

Version

2.0

Created at

2022-09-08 17:33:27 UTC

Updated at

2022-09-08 17:33:28 UTC

NP-MRD ID

NP0271306

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082219332D          

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M  END

     RDKit          3D

126136  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0271306

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C1C(\C(=C\C2=CC=C(OC34C(C(C(C5=CC=C(O)C(OC)=C5)C5=C(O)C=C(O)C=C35)C3=CC(O)=CC(O)=C43)C3=CC=C(O)C(OC)=C3)C(OC)=C2)C2=CC(O)=CC(O)=C12)C1=CC(O)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C60H50O16/c1-72-48-17-28(6-9-41(48)66)53-52(31-15-32(61)20-33(62)16-31)37(38-21-34(63)24-44(69)55(38)53)13-27-5-12-47(51(14-27)75-4)76-60-40-23-36(65)25-45(70)57(40)54(29-7-10-42(67)49(18-29)73-2)56(39-22-35(64)26-46(71)59(39)60)58(60)30-8-11-43(68)50(19-30)74-3/h5-26,52-54,56,58,61-71H,1-4H3/b37-13+

> <INCHI_KEY>
IKSNDEBOOWUMDE-WMJGVATBSA-N

> <FORMULA>
C60H50O16

> <MOLECULAR_WEIGHT>
1027.044

> <EXACT_MASS>
1026.30988553

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
126

> <JCHEM_AVERAGE_POLARIZABILITY>
106.01630338560005

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(4-{[(1E)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-inden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

> <JCHEM_LOGP>
9.966213584666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.827576105802109

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.365949132544804

> <JCHEM_PKA_STRONGEST_BASIC>
-5.0816151332165775

> <JCHEM_POLAR_SURFACE_AREA>
268.67999999999995

> <JCHEM_REFRACTIVITY>
281.7203

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-{[(1E)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      11.417 -12.482   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.392 -11.333   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.875  -9.870   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.850  -8.721   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.333  -7.258   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.309  -6.109   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.776  -6.262   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.865  -7.504   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.484  -8.914   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.334  -7.335   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.715  -5.925   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.184  -5.757   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.626  -4.684   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.157  -4.852   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.306  -3.828   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.153  -2.295   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.749  -1.662   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.596  -0.130   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.192   0.504   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.942  -0.395   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.460   0.262   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.623   1.923   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.014   2.583   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.137   1.528   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.611   1.973   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.339   2.456   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.169   3.543   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.840   4.527   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.668   5.441   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.778   4.223   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.413   5.292   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.090   6.675   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.230   7.953   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.907   9.336   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.444   9.442   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.815  10.989   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.303   8.164   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.709   9.185   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.633  10.557   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.627   6.781   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.873   5.301   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.906   4.103   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.563   4.566   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.698   3.526   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -3.222   3.969   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -1.365   2.022   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       0.104   1.559   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -0.513   0.088   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       1.239   2.600   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.670   3.706   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.174   4.039   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       4.637   5.508   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       6.140   5.841   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       7.181   4.706   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       8.972   5.004   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       6.718   3.237   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       7.971   1.638   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0       9.633   2.356   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       5.214   2.904   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       4.095  -1.927   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       3.121  -3.203   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0       3.714  -4.624   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       5.499  -2.561   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       9.636  -4.604   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      11.046  -3.985   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      11.215  -2.454   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      12.625  -1.835   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      12.793  -0.304   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      13.866  -2.746   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      13.698  -4.277   0.000  0.00  0.00           C+0
HETATM   71  O   UNK     0      14.939  -5.188   0.000  0.00  0.00           O+0
HETATM   72  C   UNK     0      12.288  -4.896   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      11.841  -6.946   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      12.866  -8.095   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      12.383  -9.558   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0      13.408 -10.707   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   75                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   73                                                  
CONECT    6    5    7   64                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    7   15                                                  
CONECT   15   14   16   64                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   63                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   60                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   49   50                                             
CONECT   23   22   24   30                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   23   31                                                  
CONECT   31   30   32   41                                                  
CONECT   32   31   33   40                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   40                                                  
CONECT   38   37   39                                                       
CONECT   39   38                                                            
CONECT   40   37   32                                                       
CONECT   41   31   42   50                                                  
CONECT   42   41   43   49                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   42   22                                                  
CONECT   50   41   22   51                                                  
CONECT   51   50   52   59                                                  
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57   59                                                  
CONECT   57   56   58                                                       
CONECT   58   57                                                            
CONECT   59   56   51                                                       
CONECT   60   20   61   63                                                  
CONECT   61   60   62                                                       
CONECT   62   61                                                            
CONECT   63   60   17                                                       
CONECT   64   15    6   65                                                  
CONECT   65   64   66   72                                                  
CONECT   66   65   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70                                                       
CONECT   70   69   71   72                                                  
CONECT   71   70                                                            
CONECT   72   70   65                                                       
CONECT   73    5   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74    3   76                                                  
CONECT   76   75                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  172    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₀H₅₀O₁₆

Average Mass

1027.0440 Da

Monoisotopic Mass

1026.30989 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C1C(\C(=C\C2=CC=C(OC34C(C(C(C5=CC=C(O)C(OC)=C5)C5=C(O)C=C(O)C=C35)C3=CC(O)=CC(O)=C43)C3=CC=C(O)C(OC)=C3)C(OC)=C2)C2=CC(O)=CC(O)=C12)C1=CC(O)=CC(O)=C1

InChI Identifier

InChI=1S/C60H50O16/c1-72-48-17-28(6-9-41(48)66)53-52(31-15-32(61)20-33(62)16-31)37(38-21-34(63)24-44(69)55(38)53)13-27-5-12-47(51(14-27)75-4)76-60-40-23-36(65)25-45(70)57(40)54(29-7-10-42(67)49(18-29)73-2)56(39-22-35(64)26-46(71)59(39)60)58(60)30-8-11-43(68)50(19-30)74-3/h5-26,52-54,56,58,61-71H,1-4H3/b37-13+

InChI Key

IKSNDEBOOWUMDE-WMJGVATBSA-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
Gnetum hainanense	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	9.97	ChemAxon
pKa (Strongest Acidic)	8.37	ChemAxon
pKa (Strongest Basic)	-5.1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Rotatable Bond Count	11	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol (NP0271306)

MOL for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

3D MOL for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

3D SDF for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

3D-SDF for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

PDB for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

3D PDB for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

SMILES for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

INCHI for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

Structure for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)

3D Structure for NP0271306 (1-(4-{[(1e)-2-(3,5-dihydroxyphenyl)-4,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroinden-1-ylidene]methyl}-2-methoxyphenoxy)-8,16-bis(4-hydroxy-3-methoxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol)