NP-MRD: Showing NP-Card for (2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one (NP0260654)

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Record Information

Version

2.0

Created at

2022-09-08 02:52:57 UTC

Updated at

2022-09-08 02:52:57 UTC

NP-MRD ID

NP0260654

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

Description

(2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. (2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one is found in Garcinia livingstonei. Based on a literature review very few articles have been published on (2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082204522D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082204522D          

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    5.3619   -8.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415   -8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   -8.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326   -7.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -7.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530   -7.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588   -6.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -5.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -5.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3704   -5.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -2.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926    0.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2728   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -0.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230   -1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931   -2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0829   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129   -3.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7327   -2.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -1.7507    0.0000 C   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
  2  4  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  1  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
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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  1  0  0  0  0
 22 24  2  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  2  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 30 46  2  0  0  0  0
 35 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0260654

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=C[C@@H]1C[C@@](C)(OC2=C3OC4=C(O)C=CC=C4C(=O)C3=C(O)C=C12)\C=C\C1=CC(O)=C2C(=O)C3=CC=CC(O)=C3OC2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H28O10/c1-16(2)12-18-15-36(3,46-33-21(18)14-25(40)27-30(43)20-7-5-9-23(38)32(20)45-35(27)33)11-10-17-13-24(39)26-29(42)19-6-4-8-22(37)31(19)44-34(26)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b11-10+/t18-,36+/m1/s1

> <INCHI_KEY>
FZZGQDIWKXCOQI-ZOMYVUIUSA-N

> <FORMULA>
C36H28O10

> <MOLECULAR_WEIGHT>
620.61

> <EXACT_MASS>
620.168247102

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
64.72778263832284

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one

> <JCHEM_LOGP>
7.787322492333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.936658768580606

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.451128982807024

> <JCHEM_PKA_STRONGEST_BASIC>
-3.525407242637437

> <JCHEM_POLAR_SURFACE_AREA>
162.98

> <JCHEM_REFRACTIVITY>
170.24169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       2.132  -0.649   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.140  -1.813   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.636  -3.268   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.652  -1.522   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.660  -2.686   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.156  -4.141   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.164  -5.305   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.843  -6.096   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.714  -6.744   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.234  -6.988   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.783  -8.426   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.304  -8.670   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.853 -10.109   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.374 -10.353   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.882 -11.304   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.431 -12.743   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.952 -12.986   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.460 -13.938   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.009 -15.376   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.037 -16.571   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.517 -16.328   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.968 -14.889   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.447 -14.645   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.939 -13.694   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.390 -12.255   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.361 -11.060   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.812  -9.621   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.291  -9.378   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       7.677  -5.014   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.181  -3.559   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.172  -2.395   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.677  -0.940   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.189  -0.649   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       9.693   0.807   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      10.197  -1.813   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.709  -1.522   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.213  -0.067   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      12.717  -2.686   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.230  -2.395   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      15.238  -3.559   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.734  -5.014   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.221  -5.305   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      12.717  -6.760   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      12.213  -4.141   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      10.701  -4.432   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       9.693  -3.268   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9   29                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   27                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   26                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   18   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   15   27                                                  
CONECT   27   26   11   28                                                  
CONECT   28   27                                                            
CONECT   29    7   30                                                       
CONECT   30   29   31   46                                                  
CONECT   31   30    5   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   46                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   44                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   38   45                                                  
CONECT   45   44   46                                                       
CONECT   46   45   30   35                                                  
MASTER        0    0    0    0    0    0    0    0   46    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₂₈O₁₀

Average Mass

620.6100 Da

Monoisotopic Mass

620.16825 Da

IUPAC Name

(2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one

Traditional Name

(2R,4S)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

CAS Registry Number

Not Available

SMILES

CC(C)=C[C@@H]1C[C@@](C)(OC2=C3OC4=C(O)C=CC=C4C(=O)C3=C(O)C=C12)\C=C\C1=CC(O)=C2C(=O)C3=CC=CC(O)=C3OC2=C1O

InChI Identifier

InChI=1S/C36H28O10/c1-16(2)12-18-15-36(3,46-33-21(18)14-25(40)27-30(43)20-7-5-9-23(38)32(20)45-35(27)33)11-10-17-13-24(39)26-29(42)19-6-4-8-22(37)31(19)44-34(26)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b11-10+/t18-,36+/m1/s1

InChI Key

FZZGQDIWKXCOQI-ZOMYVUIUSA-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
Garcinia livingstonei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Pyranoxanthones

Alternative Parents

Substituents

Pyranoxanthone
Prenylbenzoquinol
Chromone
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Ether
Polyol
Oxacycle
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
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	7.79	ChemAxon
pKa (Strongest Acidic)	7.45	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.98 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	170.24 m³·mol⁻¹	ChemAxon
Polarizability	64.73 Å³	ChemAxon
Number of Rings	7	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

163186351

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one (NP0260654)

MOL for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D MOL for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D SDF for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D-SDF for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

PDB for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D PDB for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

SMILES for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

INCHI for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

Structure for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D Structure for NP0260654 ((2r,4s)-6,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)