NP-MRD: Showing NP-Card for 10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione (NP0225880)

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Record Information

Version

2.0

Created at

2022-09-06 04:44:26 UTC

Updated at

2022-09-06 04:44:26 UTC

NP-MRD ID

NP0225880

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione

Description

10-(4,9-Dihydroxy-5,7-dimethoxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(17),2(11),3,5,7,9,18,20(25),26,28-decaene-15,21-dione belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Based on a literature review very few articles have been published on 10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(17),2(11),3,5,7,9,18,20(25),26,28-decaene-15,21-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062206442D          

 65 73  0  0  0  0            999 V2000
    4.3508   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

111119  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309062206442D          

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M  END
> <DATABASE_ID>
NP0225880

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C3=C(C(O)=C2C(OC)=C1)C1=C(OC)C=C2C=C4CC(C)(O)CC(=O)C4=C(O)C2=C1OC(=O)CC(C)(O)C3)C1(O)C2=CC(C)=CC(O)=C2C(=O)C2=C(OC)C=C(OC)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C50H46O15/c1-21-9-28-40(30(51)10-21)46(56)41-29(14-25(61-5)16-34(41)64-8)50(28,59)43-26-13-24(60-4)15-33(63-7)38(26)45(55)39-27(43)18-49(3,58)20-35(53)65-47-37-22(12-32(62-6)42(39)47)11-23-17-48(2,57)19-31(52)36(23)44(37)54/h9-16,51,54-55,57-59H,17-20H2,1-8H3

> <INCHI_KEY>
NZFJBAZBFQBROR-UHFFFAOYSA-N

> <FORMULA>
C50H46O15

> <MOLECULAR_WEIGHT>
886.903

> <EXACT_MASS>
886.283670781

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
92.75014888160365

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(11),3,5,7,9,17,19,25,27-decaene-15,21-dione

> <JCHEM_LOGP>
6.629935622666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.168487349497983

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.618479618845808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9319255542752494

> <JCHEM_POLAR_SURFACE_AREA>
227.96999999999997

> <JCHEM_REFRACTIVITY>
238.73990000000012

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(11),3,5,7,9,17,19,25,27-decaene-15,21-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       8.121  -4.577   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.788  -3.807   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.454  -4.577   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.454  -6.117   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.120  -6.887   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.120  -8.427   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.454  -9.197   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.787  -6.117   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.787  -4.577   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.120  -3.807   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.453  -3.807   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.443  -2.627   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.463  -2.627   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.411  -1.413   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.834   0.015   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.691   0.229   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.997   1.045   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.639  -0.985   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.164  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.741   0.658   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -5.266   0.872   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.112  -1.984   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.535  -3.412   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.483  -4.625   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -6.008  -4.411   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.010  -3.626   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.062  -2.413   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.310   1.479   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.049   2.202   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.355   1.386   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.715   2.109   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.103   3.741   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.203   4.557   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.149   6.096   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.455   6.912   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.815   6.189   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.869   4.650   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       5.228   3.927   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.563   3.834   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.616   2.295   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.141   2.081   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       5.172   0.936   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.600   1.513   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.226  -0.603   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.277  -1.816   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       5.712  -2.376   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       4.633  -3.315   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       2.771  -2.136   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       5.121   7.006   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       6.481   6.283   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       5.067   8.545   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       3.707   9.268   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       4.655  10.481   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       2.677  10.412   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       2.401   8.452   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       0.119  -4.577   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -1.214  -3.807   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -2.548  -4.577   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -3.955  -5.203   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -2.548  -6.117   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -1.214  -6.887   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      -1.214  -8.427   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       0.119  -6.117   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       1.453  -6.887   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0       1.453  -8.427   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   64                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    3                                                       
CONECT   11    9   12   13   56                                             
CONECT   12   11                                                            
CONECT   13   11   14   27                                                  
CONECT   14   13   15   48                                                  
CONECT   15   14   16   28                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   27                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27                                                       
CONECT   27   26   13   18                                                  
CONECT   28   15   29   40                                                  
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33                                                       
CONECT   33   32   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   55                                                  
CONECT   36   35   37   49                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   33   40                                                  
CONECT   40   39   28   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   47   48                                             
CONECT   46   45                                                            
CONECT   47   45                                                            
CONECT   48   45   14                                                       
CONECT   49   36   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52                                                       
CONECT   52   51   53   54   55                                             
CONECT   53   52                                                            
CONECT   54   52                                                            
CONECT   55   52   35                                                       
CONECT   56   11   57   63                                                  
CONECT   57   56   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61   56   64                                                  
CONECT   64   63    8   65                                                  
CONECT   65   64                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  146    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₀H₄₆O₁₅

Average Mass

886.9030 Da

Monoisotopic Mass

886.28367 Da

IUPAC Name

10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(11),3,5,7,9,17,19,25,27-decaene-15,21-dione

Traditional Name

10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0^{2,11}.0^{4,9}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(11),3,5,7,9,17,19,25,27-decaene-15,21-dione

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C3=C(C(O)=C2C(OC)=C1)C1=C(OC)C=C2C=C4CC(C)(O)CC(=O)C4=C(O)C2=C1OC(=O)CC(C)(O)C3)C1(O)C2=CC(C)=CC(O)=C2C(=O)C2=C(OC)C=C(OC)C=C12

InChI Identifier

InChI=1S/C50H46O15/c1-21-9-28-40(30(51)10-21)46(56)41-29(14-25(61-5)16-34(41)64-8)50(28,59)43-26-13-24(60-4)15-33(63-7)38(26)45(55)39-27(43)18-49(3,58)20-35(53)65-47-37-22(12-32(62-6)42(39)47)11-23-17-48(2,57)19-31(52)36(23)44(37)54/h9-16,51,54-55,57-59H,17-20H2,1-8H3

InChI Key

NZFJBAZBFQBROR-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 anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Anthracenes

Sub Class

Not Available

Direct Parent

Anthracenes

Alternative Parents

Substituents

Anthracene
1-naphthol
Tetralin
Anisole
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid derivative
Oxacycle
Ether
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
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
logP	6.63	ChemAxon
pKa (Strongest Acidic)	7.62	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	227.97 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	238.74 m³·mol⁻¹	ChemAxon
Polarizability	92.75 Å³	ChemAxon
Number of Rings	9	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

163026975

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione (NP0225880)

MOL for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

3D MOL for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

3D SDF for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

3D-SDF for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

PDB for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

3D PDB for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

SMILES for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

INCHI for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

Structure for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)

3D Structure for NP0225880 (10-(4,9-dihydroxy-5,7-dimethoxy-2-methyl-10-oxoanthracen-9-yl)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione)