NP-MRD: Showing NP-Card for [1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid (NP0224487)

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Record Information

Version

2.0

Created at

2022-09-06 02:51:06 UTC

Updated at

2022-09-06 02:51:06 UTC

NP-MRD ID

NP0224487

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid

Description

2-[1,4-Bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxo-2H,3H,5H-benzo[e]indol-3-yl]acetic acid belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. [1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid is found in Iotrochota baculifera. 2-[1,4-Bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxo-2H,3H,5H-benzo[e]indol-3-yl]acetic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004161523422D          

 37 41  0  0  0  0            999 V2000
    5.6358   -0.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0058   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521    0.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995   -0.0406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    1.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    0.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    1.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1021   -2.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1467   -3.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -3.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    4.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    3.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    3.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952    2.4662    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  9 21  1  0  0  0  0
 14 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 29  1  0  0  0  0
  8 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 30 37  1  0  0  0  0
M  END


  Mrv1533004161523422D          

 37 41  0  0  0  0            999 V2000
    5.6358   -0.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0058   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521    0.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995   -0.0406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    1.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    0.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    1.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1021   -2.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1467   -3.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -3.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    4.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    3.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    3.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952    2.4662    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  9 21  1  0  0  0  0
 14 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 29  1  0  0  0  0
  8 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 30 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0224487

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)CN1C(=O)C(=C2C1=C(C1=CC=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C=C21)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H17NO10/c28-14-3-1-10(5-16(14)30)21-23-12-7-18(32)19(33)8-13(12)25(36)22(11-2-4-15(29)17(31)6-11)24(23)27(26(21)37)9-20(34)35/h1-8,28-33H,9H2,(H,34,35)

> <INCHI_KEY>
KZYLJLQEYDPMCH-UHFFFAOYSA-N

> <FORMULA>
C26H17NO10

> <MOLECULAR_WEIGHT>
503.419

> <EXACT_MASS>
503.085245751

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
49.16681767961279

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxo-2H,3H,5H-benzo[e]indol-3-yl]acetic acid

> <ALOGPS_LOGP>
2.93

> <JCHEM_LOGP>
1.7338006946666669

> <ALOGPS_LOGS>
-4.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.61938830692045

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.781817623664587

> <JCHEM_PKA_STRONGEST_BASIC>
-6.31307802732518

> <JCHEM_POLAR_SURFACE_AREA>
196.05999999999997

> <JCHEM_REFRACTIVITY>
129.18249999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  O   UNK     0      10.520  -1.543   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       9.344  -0.549   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.617   0.967   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       7.895  -1.070   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.719  -0.076   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.832   1.460   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.141   2.271   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.406   2.042   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.412   0.866   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.223  -0.443   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.495  -1.800   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.956  -1.848   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.228  -3.205   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.145  -0.539   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.606  -0.587   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.206   0.722   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.745   0.674   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.522   2.079   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.289   3.388   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.062   2.127   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.873   0.818   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.307  -3.109   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.846  -3.061   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.657  -4.370   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.929  -5.727   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.741  -7.036   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.390  -5.775   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.662  -7.132   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.579  -4.466   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.039   3.538   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.561   3.968   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.193   5.463   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.305   6.529   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.938   8.025   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.784   6.099   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.896   7.165   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.151   4.604   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   30                                                  
CONECT    9    8   10   21                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10   12   22                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    9   14                                                  
CONECT   22   11   23   29                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   22                                                       
CONECT   30    8   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   30                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
2-[1,4-Bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxo-2H,3H,5H-benzo[e]indol-3-yl]acetate	Generator

Chemical Formula

C₂₆H₁₇NO₁₀

Average Mass

503.4190 Da

Monoisotopic Mass

503.08525 Da

IUPAC Name

2-[1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxo-2H,3H,5H-benzo[e]indol-3-yl]acetic acid

Traditional Name

[1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid

CAS Registry Number

Not Available

SMILES

OC(=O)CN1C(=O)C(=C2C1=C(C1=CC=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C=C21)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C26H17NO10/c28-14-3-1-10(5-16(14)30)21-23-12-7-18(32)19(33)8-13(12)25(36)22(11-2-4-15(29)17(31)6-11)24(23)27(26(21)37)9-20(34)35/h1-8,28-33H,9H2,(H,34,35)

InChI Key

KZYLJLQEYDPMCH-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Iotrochota baculifera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenylnaphthalene
Indolyl carboxylic acid derivative
Alpha-amino acid or derivatives
Indole
Indole or derivatives
Catechol
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Vinylogous amide
Tertiary carboxylic acid amide
Pyrroline
Lactam
Ketone
Carboxamide group
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Organic oxygen compound
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic oxide
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	2.93	ALOGPS
logP	1.73	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	2.78	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	196.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	129.18 m³·mol⁻¹	ChemAxon
Polarizability	49.17 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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 [1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid (NP0224487)

MOL for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

3D MOL for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

3D SDF for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

3D-SDF for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

PDB for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

3D PDB for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

SMILES for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

INCHI for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

Structure for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)

3D Structure for NP0224487 ([1,4-bis(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,5-dioxobenzo[e]indol-3-yl]acetic acid)