NP-MRD: Showing NP-Card for methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate (NP0306653)

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Record Information

Version

1.0

Created at

2022-09-10 23:16:00 UTC

Updated at

2022-09-10 23:16:01 UTC

NP-MRD ID

NP0306653

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate

Description

SCHEMBL16453657 belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate is found in Rubia cordifolia. Based on a literature review very few articles have been published on SCHEMBL16453657.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.1972    4.6856   -1.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173    3.5621   -0.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    2.5552   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    2.7715   -1.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    1.3834    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031    0.3861   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627   -0.7320    0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.9105    1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841   -2.0146    2.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -2.1344    3.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -1.1697    3.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705   -0.0537    3.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651    0.0531    1.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    1.2025    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9032    2.1185    1.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8739   -1.7263    0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2892   -1.8661   -0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -2.9420   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342   -2.3712   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522   -0.5646   -1.3205 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8933   -0.2524   -0.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1094   -0.1499   -1.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600    0.5751   -1.2235 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6222    1.7398   -0.9076 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816    4.6702   -2.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857    5.5775   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478    4.8104   -2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463   -2.7584    2.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579   -2.9955    4.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4232   -1.2635    4.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945    0.7159    3.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135    2.9426    1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945   -3.0553   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8084   -3.9154   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9869   -2.8057    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632   -2.5928   -2.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -3.3405   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7445   -1.6969   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2619   -0.6500   -2.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9169    0.0934   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3456   -1.1701   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.5372   -1.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978    0.7776   -2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193    1.9738   -1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 23  1  0
 23 24  1  0
 23  6  1  0
  6  5  2  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  1  0
  5 14  1  0
 14 15  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  8  7  2  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
  7  6  1  0
  8 13  1  0
 22 40  1  0
 22 41  1  0
 22 42  1  0
 20 39  1  6
 23 43  1  6
 24 44  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 15 32  1  0
 12 31  1  0
 11 30  1  0
 10 29  1  0
  9 28  1  0
 18 33  1  0
 18 34  1  0
 18 35  1  0
 19 36  1  0
 19 37  1  0
 19 38  1  0
M  END


  Mrv1652309112201162D          

 24 26  0  0  0  0            999 V2000
    2.7770    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4587   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3772   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306653

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(O)C2=C(C(=O)OC)C(O)=C3C=CC=CC3=C2OC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H20O6/c1-18(2)16(22-3)14(20)11-12(17(21)23-4)13(19)9-7-5-6-8-10(9)15(11)24-18/h5-8,14,16,19-20H,1-4H3

> <INCHI_KEY>
OXENTHYAVBFFDI-UHFFFAOYSA-N

> <FORMULA>
C18H20O6

> <MOLECULAR_WEIGHT>
332.352

> <EXACT_MASS>
332.125988364

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.628313520890124

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-2H,3H,4H-naphtho[1,2-b]pyran-5-carboxylate

> <JCHEM_LOGP>
2.985798563333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.960398268823631

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.632120383955716

> <JCHEM_PKA_STRONGEST_BASIC>
-3.762895208054018

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
87.26540000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3H,4H-naphtho[1,2-b]pyran-5-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       5.184   7.438   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.414   6.105   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.184   4.771   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.724   4.771   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.414   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.874   3.437   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.104   4.771   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.184  -0.564   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.456  -2.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.171  -1.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.034   0.770   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.804   2.104   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.494   3.437   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   14                                                  
CONECT    6    5    7   23                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13    5   15                                                  
CONECT   15   14                                                            
CONECT   16    7   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20    6   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

C₁₈H₂₀O₆

Average Mass

332.3520 Da

Monoisotopic Mass

332.12599 Da

IUPAC Name

methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-2H,3H,4H-naphtho[1,2-b]pyran-5-carboxylate

Traditional Name

methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3H,4H-naphtho[1,2-b]pyran-5-carboxylate

CAS Registry Number

Not Available

SMILES

COC1C(O)C2=C(C(=O)OC)C(O)=C3C=CC=CC3=C2OC1(C)C

InChI Identifier

InChI=1S/C18H20O6/c1-18(2)16(22-3)14(20)11-12(17(21)23-4)13(19)9-7-5-6-8-10(9)15(11)24-18/h5-8,14,16,19-20H,1-4H3

InChI Key

OXENTHYAVBFFDI-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

Species Name	Source	Reference
Rubia cordifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
2-naphthalenecarboxylic acid
2-naphthalenecarboxylic acid or derivatives
2,2-dimethyl-1-benzopyran
1-naphthol
1-benzopyran
Chromane
Salicylic acid or derivatives
Benzopyran
Naphthalene
Alkyl aryl ether
Benzenoid
Pyran
Vinylogous acid
Methyl ester
Secondary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organic oxygen compound
Alcohol
Organooxygen compound
Organic oxide
Hydrocarbon derivative
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	2.99	ChemAxon
pKa (Strongest Acidic)	9.63	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	87.27 m³·mol⁻¹	ChemAxon
Polarizability	34.63 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

117864281

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate (NP0306653)

MOL for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

3D MOL for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

3D SDF for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

3D-SDF for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

PDB for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

3D PDB for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

SMILES for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

INCHI for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

Structure for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)

3D Structure for NP0306653 (methyl 4,6-dihydroxy-3-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate)