NP-MRD: Showing NP-Card for (1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one (NP0305188)

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Record Information

Version

2.0

Created at

2022-09-10 20:47:45 UTC

Updated at

2022-09-10 20:47:46 UTC

NP-MRD ID

NP0305188

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one

Description

(1S,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]Undecan-7-one belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. (1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one is found in Dipterocarpus grandiflorus. Based on a literature review very few articles have been published on (1S,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]Undecan-7-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102222472D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309102222472D          

 46 53  0  0  1  0            999 V2000
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    3.7766    3.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2814    2.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100    1.2488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9906    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121    1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3927    1.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071    1.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518    0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496    0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -0.4876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8296   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812   -1.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161   -1.8321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798   -0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    1.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290   -1.1625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8620   -1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -2.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374   -3.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -4.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854   -2.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524   -2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175   -0.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    0.7742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3239    0.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 28 35  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  2  0  0  0  0
 37 43  1  0  0  0  0
 36 44  1  0  0  0  0
 25 44  1  0  0  0  0
 19 45  1  0  0  0  0
  2 45  1  0  0  0  0
  9 45  1  0  0  0  0
 45 46  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0305188

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1CO[C@@]23O[C@H]([C@H](C4=CC(O)=CC5=C4[C@H]([C@@H](O5)C4=CC=C(O)C=C4)C4=CC(O)=CC(O)=C4)[C@@]2(O)C(=O)O[C@H]13)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H28O12/c35-18-5-1-15(2-6-18)29-26(17-9-20(37)11-21(38)10-17)27-23(12-22(39)13-25(27)44-29)28-30(16-3-7-19(36)8-4-16)46-34-31(24(40)14-43-34)45-32(41)33(28,34)42/h1-13,24,26,28-31,35-40,42H,14H2/t24-,26+,28-,29-,30-,31+,33+,34-/m0/s1

> <INCHI_KEY>
BCXLPQSOXFZGRX-HYCQBXCLSA-N

> <FORMULA>
C34H28O12

> <MOLECULAR_WEIGHT>
628.586

> <EXACT_MASS>
628.158076342

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
62.61839801552185

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0^{1,5}]undecan-7-one

> <JCHEM_LOGP>
3.879040913333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.184383623652074

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.75976645031681

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5800179586792513

> <JCHEM_POLAR_SURFACE_AREA>
195.6

> <JCHEM_REFRACTIVITY>
157.6692

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0^{1,5}]undecan-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  O   UNK     0       2.265  -1.416   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.367  -0.012   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.827   0.012   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.272   1.291   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.858   2.408   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.472   2.212   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.359   3.865   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.181   3.841   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.634   2.370   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.132   3.827   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.672   3.803   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.596   5.035   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.992   6.451   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.916   7.683   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.445   7.498   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.367   8.807   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.050   6.082   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.125   4.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.125   2.331   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.582   1.833   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.743   2.845   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.200   2.347   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.720   2.932   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.497   0.836   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.336  -0.177   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.879   0.321   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.955  -0.910   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.415  -0.886   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.625  -2.208   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.085  -2.184   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.030  -3.420   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.336  -0.839   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.126   0.483   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.881   1.922   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.666   0.459   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.841  -2.170   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.342  -3.627   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.355  -4.787   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.857  -6.244   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.345  -6.541   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.910  -8.098   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       3.333  -5.381   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.831  -3.924   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       7.313  -1.717   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       2.866   1.445   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       4.338   0.312   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   45                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10   45                                             
CONECT   10    9   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   12                                                       
CONECT   19   11   20   45                                                  
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   44                                                  
CONECT   26   25   20   27                                                  
CONECT   27   26   28   36                                                  
CONECT   28   27   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   28                                                       
CONECT   36   27   37   44                                                  
CONECT   37   36   38   43                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   37                                                       
CONECT   44   36   25                                                       
CONECT   45   19    2    9   46                                             
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₂₈O₁₂

Average Mass

628.5860 Da

Monoisotopic Mass

628.15808 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

O[C@H]1CO[C@@]23O[C@H]([C@H](C4=CC(O)=CC5=C4[C@H]([C@@H](O5)C4=CC=C(O)C=C4)C4=CC(O)=CC(O)=C4)[C@@]2(O)C(=O)O[C@H]13)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C34H28O12/c35-18-5-1-15(2-6-18)29-26(17-9-20(37)11-21(38)10-17)27-23(12-22(39)13-25(27)44-29)28-30(16-3-7-19(36)8-4-16)46-34-31(24(40)14-43-34)45-32(41)33(28,34)42/h1-13,24,26,28-31,35-40,42H,14H2/t24-,26+,28-,29-,30-,31+,33+,34-/m0/s1

InChI Key

BCXLPQSOXFZGRX-HYCQBXCLSA-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
Dipterocarpus grandiflorus	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
1-phenylcoumaran
Stilbene
Isosorbide
Coumaran
Furofuran
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Ketal
Phenol
Monosaccharide
Monocyclic benzene moiety
Gamma butyrolactone
Benzenoid
Tertiary alcohol
Tetrahydrofuran
Lactone
Secondary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Carbonyl group
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

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

163185181

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one (NP0305188)

MOL for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

3D MOL for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

3D SDF for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

3D-SDF for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

PDB for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

3D PDB for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

SMILES for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

INCHI for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

Structure for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)

3D Structure for NP0305188 ((1s,4s,5r,8s,9s,10r)-9-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.0¹,⁵]undecan-7-one)