NP-MRD: Showing NP-Card for 5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol (NP0257988)

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Record Information

Version

2.0

Created at

2022-09-07 23:16:32 UTC

Updated at

2022-09-07 23:16:32 UTC

NP-MRD ID

NP0257988

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol

Description

5-(3,5-Dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]Heptacosa-3(11),4(8),9,12(26),13,15(27),19(24),20,22-nonaene-10,13,21,23-tetrol belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol is found in Upuna borneensis. 5-(3,5-Dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]Heptacosa-3(11),4(8),9,12(26),13,15(27),19(24),20,22-nonaene-10,13,21,23-tetrol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201500282D          

 69 80  0  0  0  0            999 V2000
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M  END

     RDKit          3D

109120  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004201500282D          

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M  END
> <DATABASE_ID>
NP0257988

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C=C1)C1OC2=CC(O)=C3C(C(C4C(C5=CC=C(O)C=C5)C5=C(O)C=C(O)C=C5C5C(OC6=CC(O)=C3C4=C56)C3=CC=C(O)C=C3)C(=O)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C56H40O13/c57-29-9-1-24(2-10-29)42-44-36(20-35(63)21-37(44)64)45-49-41(69-56(45)27-7-15-32(60)16-8-27)23-38(65)46-47-39(66)22-40-48(52(47)53(50(42)51(46)49)54(67)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)55(68-40)26-5-13-31(59)14-6-26/h1-23,42-43,45,50,53,55-66H

> <INCHI_KEY>
OLKKAWLGARQVOU-UHFFFAOYSA-N

> <FORMULA>
C56H40O13

> <MOLECULAR_WEIGHT>
920.923

> <EXACT_MASS>
920.246891348

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
109

> <JCHEM_AVERAGE_POLARIZABILITY>
93.40209273706952

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3,8,10,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol

> <ALOGPS_LOGP>
6.15

> <JCHEM_LOGP>
9.768355840666667

> <ALOGPS_LOGS>
-5.80

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
12

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.441006286444678

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.659741061071762

> <JCHEM_PKA_STRONGEST_BASIC>
-5.671539173192557

> <JCHEM_POLAR_SURFACE_AREA>
237.82999999999996

> <JCHEM_REFRACTIVITY>
254.41499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.45e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3,8,10,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  O   UNK     0      19.868  -6.892   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      19.070  -5.574   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.530  -5.607   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.732  -4.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.474  -2.940   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.014  -2.908   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.812  -4.225   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.676  -1.623   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      17.273  -0.203   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.107   0.803   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.075   2.343   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.725   3.084   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.693   4.624   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      13.408   2.287   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.440   0.747   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.123  -0.051   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.003   0.713   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.979  -0.438   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.511  -1.650   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.951  -2.327   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.692  -3.478   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.696  -4.493   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.477  -5.820   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.230  -4.505   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.428  -3.144   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.441  -0.355   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.803  -1.756   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.697  -3.010   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.270  -1.904   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.376  -0.650   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.843  -0.797   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.014   0.751   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.547   0.899   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.970   2.380   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.006   3.692   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.885   4.957   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.359   4.512   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.676   5.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.026   4.568   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.343   5.366   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.058   3.028   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.741   2.230   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.392   2.972   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.466   3.672   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.714   2.328   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.174   2.308   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.387   3.632   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       0.847   3.612   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       3.139   4.975   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       4.679   4.996   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      12.082  -1.590   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      10.728  -2.324   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      13.394  -2.396   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      14.539  -1.723   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      16.061  -2.468   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.019  -4.007   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      17.332  -4.813   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      14.665  -4.741   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      13.353  -3.935   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      14.790   0.005   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      15.142  -1.494   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      14.136  -2.660   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      14.642  -4.114   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      13.636  -5.280   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      14.143  -6.734   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      12.123  -4.992   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      11.617  -3.537   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      10.104  -3.249   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      12.623  -2.372   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9   61                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   60                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   41                                                  
CONECT   15   14   16   60                                                  
CONECT   16   15   17   51                                                  
CONECT   17   16   18   42                                                  
CONECT   18   17   19   26                                                  
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   19                                                       
CONECT   26   18   27   33                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   26   34                                                  
CONECT   34   33   35   43                                                  
CONECT   35   34   36   44                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   43                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   14   42                                                  
CONECT   42   41   17   43                                                  
CONECT   43   42   34   37                                                  
CONECT   44   35   45   50                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   44                                                       
CONECT   51   16   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   59                                                  
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59                                                       
CONECT   59   58   53                                                       
CONECT   60   15   10   61                                                  
CONECT   61   60    8   62                                                  
CONECT   62   61   63   69                                                  
CONECT   63   62   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   62                                                       
MASTER        0    0    0    0    0    0    0    0   69    0  160    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₆H₄₀O₁₃

Average Mass

920.9230 Da

Monoisotopic Mass

920.24689 Da

IUPAC Name

5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3,8,10,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol

Traditional Name

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1)C1OC2=CC(O)=C3C(C(C4C(C5=CC=C(O)C=C5)C5=C(O)C=C(O)C=C5C5C(OC6=CC(O)=C3C4=C56)C3=CC=C(O)C=C3)C(=O)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C1

InChI Identifier

InChI=1S/C56H40O13/c57-29-9-1-24(2-10-29)42-44-36(20-35(63)21-37(44)64)45-49-41(69-56(45)27-7-15-32(60)16-8-27)23-38(65)46-47-39(66)22-40-48(52(47)53(50(42)51(46)49)54(67)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)55(68-40)26-5-13-31(59)14-6-26/h1-23,42-43,45,50,53,55-66H

InChI Key

OLKKAWLGARQVOU-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
Upuna borneensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
4-prenylated 2-arybenzofuran
Linear 1,7-diphenylheptane skeleton
Dibenzocycloheptene
1-phenylcoumaran
Phenanthrene
Stilbene
1-naphthalenecarboxylic acid or derivatives
2-naphthalenecarboxylic acid or derivatives
Alkyl-phenylketone
Naphthofuran
1-naphthol
Naphthalene
Phenylketone
Coumaran
Benzoyl
Aryl alkyl ketone
Resorcinol
Aryl ketone
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Ketone
Organoheterocyclic compound
Oxacycle
Ether
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	6.15	ALOGPS
logP	9.77	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	7.66	ChemAxon
pKa (Strongest Basic)	-5.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	237.83 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	254.42 m³·mol⁻¹	ChemAxon
Polarizability	93.4 Å³	ChemAxon
Number of Rings	12	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

74835212

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol (NP0257988)

MOL for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

3D MOL for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

3D SDF for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

3D-SDF for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

PDB for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

3D PDB for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

SMILES for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

INCHI for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

Structure for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)

3D Structure for NP0257988 (5-(3,5-dihydroxyphenyl)-2-(4-hydroxybenzoyl)-6,17,25-tris(4-hydroxyphenyl)-7,16-dioxaheptacyclo[13.10.2.0³,¹¹.0⁴,⁸.0¹²,²⁶.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4(8),9,12,14,19,21,23,26-nonaene-10,13,21,23-tetrol)