NP-MRD: Showing NP-Card for (2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione (NP0143554)

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Record Information

Version

2.0

Created at

2022-09-01 22:20:59 UTC

Updated at

2022-09-01 22:21:00 UTC

NP-MRD ID

NP0143554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione

Description

(2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',2',3',4',5,6,7,8-octahydro-[2,9'-bianthracene]-4',8-dione belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities. Based on a literature review very few articles have been published on (2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',2',3',4',5,6,7,8-octahydro-[2,9'-bianthracene]-4',8-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022200212D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022200212D          

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   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2448  -10.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842  -10.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.9000    0.0000 C   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
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7111   -5.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -4.8067    0.0000 O   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
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  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
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 32 35  1  0  0  0  0
 21 35  1  0  0  0  0
 13 36  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 12 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  1  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0143554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(O)=C3C(=O)C[C@@](C)(O)CC3=C(C2=C1)C1=C(OC)C=C2C=C3C[C@](C)(O)CC(=O)C3=C(O)C2=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C34H34O10/c1-33(39)11-16-7-15-8-22(42-4)29(32(44-6)25(15)30(37)24(16)20(35)13-33)26-18-9-17(41-3)10-23(43-5)28(18)31(38)27-19(26)12-34(2,40)14-21(27)36/h7-10,37-40H,11-14H2,1-6H3/t33-,34-/m0/s1

> <INCHI_KEY>
MGODXJCESXHVIE-HEVIKAOCSA-N

> <FORMULA>
C34H34O10

> <MOLECULAR_WEIGHT>
602.636

> <EXACT_MASS>
602.215197295

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
63.4935944027946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',2',3',4',5,6,7,8-octahydro-[2,9'-bianthracene]-4',8-dione

> <ALOGPS_LOGP>
3.81

> <JCHEM_LOGP>
4.3768978926666655

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.175827517583784

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.526895107854004

> <JCHEM_PKA_STRONGEST_BASIC>
-2.931887498958335

> <JCHEM_POLAR_SURFACE_AREA>
151.98000000000002

> <JCHEM_REFRACTIVITY>
162.75400000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.53e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.000 -16.940   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.324 -20.430   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.344 -20.430   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -0.000 -18.480   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.194 -10.687   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.184  -8.973   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   36                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   43                                                  
CONECT   12   11   13   38                                                  
CONECT   13   12   14   36                                                  
CONECT   14   13   15   26                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   35                                                  
CONECT   22   21   23   29                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   19   26                                                  
CONECT   26   25   14   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   22   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   21                                                       
CONECT   36   13    8   37                                                  
CONECT   37   36    3                                                       
CONECT   38   12   39                                                       
CONECT   39   38   40   41   42                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   39   43                                                       
CONECT   43   42   11   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₄O₁₀

Average Mass

602.6360 Da

Monoisotopic Mass

602.21520 Da

IUPAC Name

(2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',2',3',4',5,6,7,8-octahydro-[2,9'-bianthracene]-4',8-dione

Traditional Name

(2'S,6S)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(O)=C3C(=O)C[C@@](C)(O)CC3=C(C2=C1)C1=C(OC)C=C2C=C3C[C@](C)(O)CC(=O)C3=C(O)C2=C1OC

InChI Identifier

InChI=1S/C34H34O10/c1-33(39)11-16-7-15-8-22(42-4)29(32(44-6)25(15)30(37)24(16)20(35)13-33)26-18-9-17(41-3)10-23(43-5)28(18)31(38)27-19(26)12-34(2,40)14-21(27)36/h7-10,37-40H,11-14H2,1-6H3/t33-,34-/m0/s1

InChI Key

MGODXJCESXHVIE-HEVIKAOCSA-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 arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Arylnaphthalene lignans

Sub Class

Not Available

Direct Parent

Arylnaphthalene lignans

Alternative Parents

Substituents

Arylnaphthalene lignan skeleton
Anthracene
1-naphthol
Tetralin
Anisole
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Vinylogous acid
Tertiary alcohol
Ketone
Ether
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	3.81	ALOGPS
logP	4.38	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	7.53	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	151.98 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	162.75 m³·mol⁻¹	ChemAxon
Polarizability	63.49 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

162953190

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione (NP0143554)

MOL for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

3D MOL for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

3D SDF for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

3D-SDF for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

PDB for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

3D PDB for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

SMILES for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

INCHI for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

Structure for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)

3D Structure for NP0143554 ((2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione)