NP-MRD: Showing NP-Card for (9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one (NP0206962)

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Record Information

Version

2.0

Created at

2022-09-05 03:23:49 UTC

Updated at

2022-09-05 03:23:49 UTC

NP-MRD ID

NP0206962

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one

Description

Scleroderris yellow belongs to the class of organic compounds known as phenalenones. Phenalenones are compounds containing a phenalene ring system, which carries a keto group. Based on a literature review very few articles have been published on Scleroderris yellow.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052205232D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052205232D          

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    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -4.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -2.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6425   -2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2380   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -3.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -3.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0958   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -2.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932   -2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -1.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 17 29  1  0  0  0  0
 16 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
 14 33  1  0  0  0  0
 33 34  2  0  0  0  0
  9 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
  2 42  1  0  0  0  0
 42 43  1  0  0  0  0
  6 43  2  0  0  0  0
 37 43  1  0  0  0  0
 41 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 40 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0206962

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1OC2=C3C(C)=CC(=O)C4=C3C(C(O)=C2C1(C)C)=C(O)C(CC1=C(O)C2=C3C(=C5O[C@H](C)C(C)(C)C5=C(O)C3=C1O)C(C)=CC2=O)=C4O

> <INCHI_IDENTIFIER>
InChI=1S/C39H36O10/c1-12-9-18(40)22-24-20(12)36-28(38(5,6)14(3)48-36)34(46)26(24)32(44)16(30(22)42)11-17-31(43)23-19(41)10-13(2)21-25(23)27(33(17)45)35(47)29-37(21)49-15(4)39(29,7)8/h9-10,14-15,42-47H,11H2,1-8H3/t14-,15-/m1/s1

> <INCHI_KEY>
RMQIIOAAEWUYEI-HUUCEWRRSA-N

> <FORMULA>
C39H36O10

> <MOLECULAR_WEIGHT>
664.707

> <EXACT_MASS>
664.230847359

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
70.56711327862331

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(12R)-2,4,15-trihydroxy-8,12,13,13-tetramethyl-3-{[(12R)-2,4,15-trihydroxy-8,12,13,13-tetramethyl-6-oxo-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9,14-hexaen-3-yl]methyl}-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9,14-hexaen-6-one

> <JCHEM_LOGP>
8.092589873666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.770952205380564

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.239741649456166

> <JCHEM_PKA_STRONGEST_BASIC>
-5.753209444818125

> <JCHEM_POLAR_SURFACE_AREA>
173.98

> <JCHEM_REFRACTIVITY>
184.78960000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(12R)-2,4,15-trihydroxy-8,12,13,13-tetramethyl-3-{[(12R)-2,4,15-trihydroxy-8,12,13,13-tetramethyl-6-oxo-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9,14-hexaen-3-yl]methyl}-11-oxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5(16),7,9,14-hexaen-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.960  -8.337   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -5.466  -4.914   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.799  -4.144   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.839  -3.507   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.371  -6.160   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -7.911  -6.160   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -5.466  -7.406   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      10.800  -7.406   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      11.706  -6.160   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      13.246  -6.160   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      10.800  -4.914   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      11.934  -3.872   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      10.496  -3.404   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   43                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   35                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   22                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   33                                                  
CONECT   15   14   16   21                                                  
CONECT   16   15   17   30                                                  
CONECT   17   16   18   29                                                  
CONECT   18   17   19   24                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15   22                                                  
CONECT   22   21   11   23                                                  
CONECT   23   22                                                            
CONECT   24   18   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   17                                                       
CONECT   30   16   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   14   34                                                  
CONECT   34   33                                                            
CONECT   35    9   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   43                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   47                                                  
CONECT   41   40   42   44                                                  
CONECT   42   41    2   43                                                  
CONECT   43   42    6   37                                                  
CONECT   44   41   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   40   48   49                                             
CONECT   48   47                                                            
CONECT   49   47                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₃₆O₁₀

Average Mass

664.7070 Da

Monoisotopic Mass

664.23085 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1OC2=C3C(C)=CC(=O)C4=C3C(C(O)=C2C1(C)C)=C(O)C(CC1=C(O)C2=C3C(=C5O[C@H](C)C(C)(C)C5=C(O)C3=C1O)C(C)=CC2=O)=C4O

InChI Identifier

InChI=1S/C39H36O10/c1-12-9-18(40)22-24-20(12)36-28(38(5,6)14(3)48-36)34(46)26(24)32(44)16(30(22)42)11-17-31(43)23-19(41)10-13(2)21-25(23)27(33(17)45)35(47)29-37(21)49-15(4)39(29,7)8/h9-10,14-15,42-47H,11H2,1-8H3/t14-,15-/m1/s1

InChI Key

RMQIIOAAEWUYEI-HUUCEWRRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenalenones. Phenalenones are compounds containing a phenalene ring system, which carries a keto group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenalen-1-one
Naphthofuran
1-naphthol
2-naphthol
Naphthalene
Coumaran
Aryl ketone
Alkyl aryl ether
Vinylogous acid
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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

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

102405294

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one (NP0206962)

MOL for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

3D MOL for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

3D SDF for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

3D-SDF for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

PDB for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

3D PDB for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

SMILES for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

INCHI for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

Structure for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)

3D Structure for NP0206962 ((9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-5-{[(9r)-4,6,7-trihydroxy-1,8,8,9-tetramethyl-3-oxo-9h-phenaleno[1,2-b]furan-5-yl]methyl}-9h-phenaleno[1,2-b]furan-3-one)