NP-MRD: Showing NP-Card for (1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione (NP0206238)

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Record Information

Version

2.0

Created at

2022-09-05 02:24:55 UTC

Updated at

2022-09-05 02:24:55 UTC

NP-MRD ID

NP0206238

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

Description

GUTTIFERONE L belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review very few articles have been published on GUTTIFERONE L.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052204242D          

 45 47  0  0  1  0            999 V2000
   -2.4120    1.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652    2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953    1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    1.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    1.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    0.7325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2888    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134   -0.0297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052204242D          

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   -1.8652    2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953    1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    1.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    1.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    0.7325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2888    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134   -0.0297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6116   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -1.1076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2913   -1.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -3.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376   -3.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -3.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369   -1.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    0.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442   -2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442   -0.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369    1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913    1.0482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2913    1.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    2.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    3.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203    3.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913    3.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0219   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544    0.4552    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 24 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 38 44  1  0  0  0  0
 16 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0206238

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(=C(O)C3=CC(O)=C(O)C=C3O)C(=O)[C@]1(CC=C(C)C)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C38H50O7/c1-22(2)11-10-16-36(9)26(13-12-23(3)4)21-37(17-14-24(5)6)33(43)31(32(42)27-19-29(40)30(41)20-28(27)39)34(44)38(36,35(37)45)18-15-25(7)8/h11-12,14-15,19-20,26,39-42H,10,13,16-18,21H2,1-9H3/t26-,36+,37+,38-/m1/s1

> <INCHI_KEY>
BSBNNDHXXJAOES-HYOCDBLYSA-N

> <FORMULA>
C38H50O7

> <MOLECULAR_WEIGHT>
618.811

> <EXACT_MASS>
618.35565395

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
68.97605810401093

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5S,6S,7R)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

> <JCHEM_LOGP>
9.41384599933333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.572916655541237

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.611880586733443

> <JCHEM_PKA_STRONGEST_BASIC>
-5.778479814587986

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
183.59650000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S,6S,7R)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

> <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      -4.502   2.198   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.281   3.135   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.482   4.662   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.858   2.546   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.636   3.483   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.787   2.894   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.988   1.367   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.539   1.568   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.398  -0.055   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.142  -0.055   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.912  -1.389   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.142  -2.723   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.912  -4.056   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.398  -2.723   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.988  -1.478   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.410  -2.068   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.410  -3.608   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.077  -4.378   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.077  -5.918   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.257  -6.688   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.410  -6.688   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.833  -1.478   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.922  -2.567   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.423  -0.055   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.963  -0.055   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.733   1.278   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.733  -1.389   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.963  -2.723   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.733  -4.056   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.963  -5.390   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.273  -4.056   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.043  -5.390   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       9.043  -2.723   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.273  -1.389   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.043  -0.055   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.833   1.367   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       4.922   2.456   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.410   1.957   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.410   3.497   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.744   4.267   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.744   5.807   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.078   6.577   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.410   6.577   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       1.907  -0.055   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       0.662   0.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   38                                             
CONECT    8    7                                                            
CONECT    9    7   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16                                                       
CONECT   16   15   17   22   44                                             
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   16   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   36                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   27   35                                                  
CONECT   35   34                                                            
CONECT   36   24   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36    7   39   44                                             
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   38   16   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₀O₇

Average Mass

618.8110 Da

Monoisotopic Mass

618.35565 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(=C(O)C3=CC(O)=C(O)C=C3O)C(=O)[C@]1(CC=C(C)C)C2=O

InChI Identifier

InChI=1S/C38H50O7/c1-22(2)11-10-16-36(9)26(13-12-23(3)4)21-37(17-14-24(5)6)33(43)31(32(42)27-19-29(40)30(41)20-28(27)39)34(44)38(36,35(37)45)18-15-25(7)8/h11-12,14-15,19-20,26,39-42H,10,13,16-18,21H2,1-9H3/t26-,36+,37+,38-/m1/s1

InChI Key

BSBNNDHXXJAOES-HYOCDBLYSA-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 bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Aromatic monoterpenoid
Bicyclic monoterpenoid
Hydroxyquinol derivative
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Ketone
Polyol
Enol
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
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

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

102080758

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione (NP0206238)

MOL for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

3D MOL for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

3D SDF for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

3D-SDF for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

PDB for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

3D PDB for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

SMILES for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

INCHI for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

Structure for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)

3D Structure for NP0206238 ((1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione)