NP-MRD: Showing NP-Card for 10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one (NP0296665)

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Record Information

Version

2.0

Created at

2022-09-10 06:23:05 UTC

Updated at

2022-09-10 06:23:05 UTC

NP-MRD ID

NP0296665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

Description

Zunyimycin A belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. 10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one was first documented in 2016 (PMID: 27248985). Based on a literature review very few articles have been published on Zunyimycin A (PMID: 28208722).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102208232D          

 36 41  0  0  0  0            999 V2000
   10.5640    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154    1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    1.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2906    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1144    0.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9184   -0.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3698   -0.9685    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0946   -0.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432    0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8357    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3002   -0.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351   -1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880   -2.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4276   -1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9761   -0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -0.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5775   -0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7465    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5304    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6994    1.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1452    0.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1317    0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3008    1.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9021    2.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7937   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653   -1.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0235   -1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256   -1.1312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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    3.3597   -0.8305    1.7239 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7295   -1.1190    3.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343   -1.6114    1.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2734   -1.0952    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3406   -0.2183    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418    1.0320    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3048    1.4399    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6478    2.6699   -0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186    0.5690    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0806    0.1666   -4.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.5307   -4.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7879   -2.1872    2.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309102208232D          

 36 41  0  0  0  0            999 V2000
   10.5640    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154    1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    1.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2906    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1144    0.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9184   -0.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3698   -0.9685    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.6994    1.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1317    0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3479    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9021    2.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7803    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964   -0.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2260   -1.2025    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1789   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0296665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C(Cl)C2=C1C1OC(C)(CC3=CC4=C(C(O)=C13)C(=O)C1=C(O)C=C(O)C(Cl)=C1C4(C)C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C27H22Cl2O7/c1-9-5-13(31)21(29)25-15(9)24-16-10(8-27(4,35-24)36-25)6-11-17(22(16)33)23(34)18-12(30)7-14(32)20(28)19(18)26(11,2)3/h5-7,24,30-33H,8H2,1-4H3

> <INCHI_KEY>
JZTJQNQPTZNAOD-UHFFFAOYSA-N

> <FORMULA>
C27H22Cl2O7

> <MOLECULAR_WEIGHT>
529.37

> <EXACT_MASS>
528.0742584

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
52.30817887380187

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

> <JCHEM_LOGP>
7.661411286999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.81556055846064

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.403760487507072

> <JCHEM_PKA_STRONGEST_BASIC>
-4.338747423770765

> <JCHEM_POLAR_SURFACE_AREA>
116.45

> <JCHEM_REFRACTIVITY>
145.92869999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-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  C   UNK     0      19.719   3.348   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.562   2.059   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.100   2.144   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.943   0.855   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      24.480   0.941   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      22.248  -0.519   0.000  0.00  0.00           C+0
HETATM    7 Cl   UNK     0      23.090  -1.808   0.000  0.00  0.00          Cl+0
HETATM    8  C   UNK     0      20.710  -0.604   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.867   0.685   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.360   1.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      19.227  -0.884   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      19.106  -2.954   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.391  -4.468   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.598  -2.639   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.755  -1.350   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.292  -1.830   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.145  -0.803   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.460   0.704   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      15.923   1.184   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.239   2.692   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      17.071   0.157   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.313   1.731   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      13.628   3.238   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.849   1.250   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.702   2.277   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.017   3.785   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       9.239   1.797   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.923   0.290   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.460  -0.191   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.071  -0.737   0.000  0.00  0.00           C+0
HETATM   31 Cl   UNK     0       9.755  -2.245   0.000  0.00  0.00          Cl+0
HETATM   32  C   UNK     0      11.534  -0.257   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.682  -1.284   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.695  -2.467   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.111  -2.763   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      20.394  -2.112   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   36                                                  
CONECT    9    8    2   10                                                  
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14   36                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   33                                                  
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15   10                                                  
CONECT   22   18   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   32                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   24   33                                                  
CONECT   33   32   17   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   12    8                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₂Cl₂O₇

Average Mass

529.3700 Da

Monoisotopic Mass

528.07426 Da

IUPAC Name

10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

Traditional Name

10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C(Cl)C2=C1C1OC(C)(CC3=CC4=C(C(O)=C13)C(=O)C1=C(O)C=C(O)C(Cl)=C1C4(C)C)O2

InChI Identifier

InChI=1S/C27H22Cl2O7/c1-9-5-13(31)21(29)25-15(9)24-16-10(8-27(4,35-24)36-25)6-11-17(22(16)33)23(34)18-12(30)7-14(32)20(28)19(18)26(11,2)3/h5-7,24,30-33H,8H2,1-4H3

InChI Key

JZTJQNQPTZNAOD-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Naphthopyranones

Direct Parent

Naphthopyranones

Alternative Parents

Substituents

Naphthopyranone
Anthracene
2-benzopyran
Isochromane
Benzopyran
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Pyranone
Benzenoid
Pyran
Aryl halide
Aryl chloride
Vinylogous acid
Ketone
Oxacycle
Polyol
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organochloride
Organohalogen 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	7.66	ChemAxon
pKa (Strongest Acidic)	6.4	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.45 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	145.93 m³·mol⁻¹	ChemAxon
Polarizability	52.31 Å³	ChemAxon
Number of Rings	6	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

132550318

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lu Y, Yue C, Shao M, Qian S, Liu N, Bao Y, Wang M, Liu M, Li X, Wang Y, Huang Y: Molecular Genetic Characterization of an Anthrabenzoxocinones Gene Cluster in Streptomyces Sp. FJS31-2 for the Biosynthesis of BE-24566B and Zunyimycin Ale. Molecules. 2016 May 30;21(6). pii: molecules21060711. doi: 10.3390/molecules21060711. [PubMed:27248985 ]
Lu Y, Shao M, Wang Y, Qian S, Wang M, Wang Y, Li X, Bao Y, Deng C, Yue C, Liu D, Liu N, Liu M, Huang Y, Chen Z, Hu Y: Zunyimycins B and C, New Chloroanthrabenzoxocinones Antibiotics against Methicillin-Resistant Staphylococcus aureus and Enterococci from Streptomyces sp. FJS31-2. Molecules. 2017 Feb 8;22(2):251. doi: 10.3390/molecules22020251. [PubMed:28208722 ]
LOTUS database [Link]

Showing NP-Card for 10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one (NP0296665)

MOL for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

3D MOL for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

3D SDF for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

3D-SDF for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

PDB for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

3D PDB for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

SMILES for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

INCHI for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

Structure for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)

3D Structure for NP0296665 (10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one)