NP-MRD: Showing NP-Card for (3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione (NP0172111)

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Record Information

Version

2.0

Created at

2022-09-03 08:55:00 UTC

Updated at

2022-09-03 08:55:00 UTC

NP-MRD ID

NP0172111

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione

Description

(3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dione belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton. Based on a literature review very few articles have been published on (3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    6.0241    1.3799    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7128    1.9006    0.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829    1.0960    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -0.2706    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346   -1.0690    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -2.4322    0.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947   -3.2394    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -0.4063    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.9903    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    1.7452    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    3.1134    0.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068    1.6055    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    2.8425    0.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834    0.7019    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.5958    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4099   -1.4682    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561   -0.7779   -0.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6945    0.3595   -0.1008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6439    1.1032   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4011   -0.1034    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733   -0.8883    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    1.3265    0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1198   -1.2356    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -2.4796    0.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7609    2.1216   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2674    1.0272    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    0.4973   -0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263   -0.7626    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   -3.3809   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398   -4.2411    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4830   -2.7506    0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158    3.7796    0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8848   -1.4918    1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871   -2.4794   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9956    1.7626   -1.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2203    0.3853   -1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    1.7632   -0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1943   -0.3169    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0270   -1.1312    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1817   -1.8548    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608    2.2717   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033    1.6026    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8 23  1  0
 23 24  2  0
 23 15  1  0
 15 14  2  0
 14 22  1  0
 22 18  1  0
 18 19  1  0
 18 20  1  1
 20 21  1  0
 18 17  1  0
 17 16  1  0
 14 12  1  0
 12 13  2  0
 12  9  1  0
  9 10  2  0
 10 11  1  0
 10  3  1  0
  9  8  1  0
 16 15  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  7 29  1  0
  7 30  1  0
  7 31  1  0
 22 41  1  0
 22 42  1  0
 19 35  1  0
 19 36  1  0
 19 37  1  0
 21 38  1  0
 21 39  1  0
 21 40  1  0
 16 33  1  0
 16 34  1  0
 11 32  1  0
M  END


  Mrv1652309032210552D          

 24 26  0  0  1  0            999 V2000
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8125    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822    1.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946    1.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  1  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0172111

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(=O)C3=C(C[C@](C)(OC)OC3)C(=O)C2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H18O7/c1-17(23-4)6-8-9(7-24-17)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h5,20H,6-7H2,1-4H3/t17-/m1/s1

> <INCHI_KEY>
HTKDSIDCAMCWKM-QGZVFWFLSA-N

> <FORMULA>
C17H18O7

> <MOLECULAR_WEIGHT>
334.324

> <EXACT_MASS>
334.10525292

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
33.707418799306254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dione

> <ALOGPS_LOGP>
1.90

> <JCHEM_LOGP>
1.5035973619999996

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.397396035586016

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.217213095040672

> <JCHEM_PKA_STRONGEST_BASIC>
-3.933636830844416

> <JCHEM_POLAR_SURFACE_AREA>
91.28999999999999

> <JCHEM_REFRACTIVITY>
85.5123

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,4H-naphtho[2,3-c]pyran-5,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.517   1.273   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.527   2.987   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.043   3.255   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.001  -2.310   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   23                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   22                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   22                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   18   14                                                       
CONECT   23   15    8   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₈O₇

Average Mass

334.3240 Da

Monoisotopic Mass

334.10525 Da

IUPAC Name

(3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dione

Traditional Name

(3R)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1H,4H-naphtho[2,3-c]pyran-5,10-dione

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(=O)C3=C(C[C@](C)(OC)OC3)C(=O)C2=C1O

InChI Identifier

InChI=1S/C17H18O7/c1-17(23-4)6-8-9(7-24-17)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h5,20H,6-7H2,1-4H3/t17-/m1/s1

InChI Key

HTKDSIDCAMCWKM-QGZVFWFLSA-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 benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isochromanequinones

Sub Class

Benzoisochromanequinones

Direct Parent

Benzoisochromanequinones

Alternative Parents

Substituents

Benzoisochromanequinone
Naphthopyranone
Naphthopyran
Naphthoquinone
Naphthalene
Anisole
Aryl ketone
Quinone
Alkyl aryl ether
Ketal
Pyranone
Benzenoid
Pyran
Vinylogous acid
Ketone
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
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	1.9	ALOGPS
logP	1.5	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	5.22	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	91.29 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	85.51 m³·mol⁻¹	ChemAxon
Polarizability	33.71 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

163086263

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione (NP0172111)

MOL for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

3D MOL for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

3D SDF for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

3D-SDF for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

PDB for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

3D PDB for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

SMILES for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

INCHI for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

Structure for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)

3D Structure for NP0172111 ((3r)-6-hydroxy-3,7,9-trimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione)