NP-MRD: Showing NP-Card for 8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione (NP0208703)

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Record Information

Version

2.0

Created at

2022-09-05 05:48:33 UTC

Updated at

2022-09-05 05:48:33 UTC

NP-MRD ID

NP0208703

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione

Description

8-{5,9-Dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-5,10-dione belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. 8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione is found in Cortinarius cardinalis. Based on a literature review very few articles have been published on 8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-5,10-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052207482D          

 43 48  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309052207482D          

 43 48  0  0  0  0            999 V2000
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0208703

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C(O)=C1C1=C(OC)C=C3C(O)C4CC(C)OC(C)C4C(=O)C3=C1O)C(=O)C1(O)C(C)OC(C)CC1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H36O11/c1-11-7-15-21(13(3)42-11)28(35)22-16(26(15)33)9-19(40-5)24(29(22)36)25-20(41-6)10-17-23(30(25)37)31(38)32(39)14(4)43-12(2)8-18(32)27(17)34/h9-15,18,21,26,33,36-37,39H,7-8H2,1-6H3

> <INCHI_KEY>
HDBJJEWAILVMQM-UHFFFAOYSA-N

> <FORMULA>
C32H36O11

> <MOLECULAR_WEIGHT>
596.629

> <EXACT_MASS>
596.225761979

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
62.94988526066638

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-5,10-dione

> <JCHEM_LOGP>
3.084928312333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.075635821018011

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.2485639815215

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2938013730195657

> <JCHEM_POLAR_SURFACE_AREA>
169.04999999999998

> <JCHEM_REFRACTIVITY>
153.6267

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH-naphtho[2,3-c]pyran-5,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.003 -16.170   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.337 -16.940   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.337 -18.480   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.004 -16.940   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.338 -16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      16.004 -12.320   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      21.339 -12.320   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      22.673 -14.630   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.339 -16.940   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.005 -16.170   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.672 -16.940   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      18.672 -18.480   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.002 -15.400   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   42                                                  
CONECT    6    5    7   31                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    3   10                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   29                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16   10   18                                                  
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   28                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   21   29                                                  
CONECT   29   28   15   30                                                  
CONECT   30   29                                                            
CONECT   31    6   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35   41                                             
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   33   42                                                  
CONECT   42   41    5   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₆O₁₁

Average Mass

596.6290 Da

Monoisotopic Mass

596.22576 Da

IUPAC Name

8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-5,10-dione

Traditional Name

8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1H,3H,4H,4aH,5H,10aH-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1H,3H,4H,4aH-naphtho[2,3-c]pyran-5,10-dione

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C(O)=C1C1=C(OC)C=C3C(O)C4CC(C)OC(C)C4C(=O)C3=C1O)C(=O)C1(O)C(C)OC(C)CC1C2=O

InChI Identifier

InChI=1S/C32H36O11/c1-11-7-15-21(13(3)42-11)28(35)22-16(26(15)33)9-19(40-5)24(29(22)36)25-20(41-6)10-17-23(30(25)37)31(38)32(39)14(4)43-12(2)8-18(32)27(17)34/h9-15,18,21,26,33,36-37,39H,7-8H2,1-6H3

InChI Key

HDBJJEWAILVMQM-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
Cortinarius cardinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Not Available

Sub Class

Not Available

Direct Parent

Lignans, neolignans and related compounds

Alternative Parents

Substituents

Neolignan skeleton
Naphthopyranone
Naphthopyran
Naphthoquinone
Naphthalene
Tetralin
Anisole
Quinone
Aryl ketone
Aryl alkyl ketone
Alkyl aryl ether
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Pyran
Oxane
Benzenoid
Vinylogous acid
Tertiary alcohol
Secondary alcohol
Ketone
Organoheterocyclic compound
Dialkyl ether
Ether
Oxacycle
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
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	3.08	ChemAxon
pKa (Strongest Acidic)	7.25	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	169.05 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	153.63 m³·mol⁻¹	ChemAxon
Polarizability	62.95 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

162997015

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione (NP0208703)

MOL for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

3D MOL for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

3D SDF for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

3D-SDF for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

PDB for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

3D PDB for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

SMILES for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

INCHI for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

Structure for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)

3D Structure for NP0208703 (8-{5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-8-yl}-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-5,10-dione)