NP-MRD: Showing NP-Card for (6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid (NP0317514)

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Record Information

Version

2.0

Created at

2022-09-11 17:26:52 UTC

Updated at

2022-09-11 17:26:52 UTC

NP-MRD ID

NP0317514

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid

Description

(6Z)-N-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2S)-2-hydroxy-3-methylidenebicyclo[2.2.2]Octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. (6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid is found in Streptomyces platensis. Based on a literature review very few articles have been published on (6Z)-N-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2S)-2-hydroxy-3-methylidenebicyclo[2.2.2]Octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112219262D          

 43 46  0  0  1  0            999 V2000
   -0.6183    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 43  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309112219262D          

 43 46  0  0  1  0            999 V2000
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    2.2396   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396   -0.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665   -1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -2.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -3.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -3.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -4.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -5.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -6.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790   -6.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915   -6.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0165   -6.8179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290   -7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540   -7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -8.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0165   -8.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290   -8.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915   -8.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790   -8.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790   -7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -7.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -6.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -6.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -6.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -6.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665   -5.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -5.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -4.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962   -0.1666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6183   -0.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  4  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 19 38  1  0  0  0  0
 38 39  1  0  0  0  0
  6 40  1  0  0  0  0
 40 41  1  0  0  0  0
  3 41  1  0  0  0  0
  6 42  1  0  0  0  0
  2 42  1  0  0  0  0
 42 43  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0317514

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(CCC(O)=NC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CO)=C1O)C(=O)\C=C/C12CCC(CC1)C(=C)[C@@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C31H43NO11/c1-16-17-6-11-31(12-7-17,28(16)41)13-8-21(35)30(2,3)10-9-22(36)32-23-19(5-4-18(14-33)24(23)37)42-29-27(40)26(39)25(38)20(15-34)43-29/h4-5,8,13,17,20,25-29,33-34,37-41H,1,6-7,9-12,14-15H2,2-3H3,(H,32,36)/b13-8-/t17?,20?,25?,26?,27?,28-,29?,31?/m0/s1

> <INCHI_KEY>
LNFWBEMAQKSEOI-FTFMEUTMSA-N

> <FORMULA>
C31H43NO11

> <MOLECULAR_WEIGHT>
605.681

> <EXACT_MASS>
605.283611209

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
64.18184058045416

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z)-N-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2S)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid

> <JCHEM_LOGP>
2.376227712000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.842338203952535

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.089923463657195

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8615459381046747

> <JCHEM_POLAR_SURFACE_AREA>
209.72999999999996

> <JCHEM_REFRACTIVITY>
157.09980000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6Z)-N-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2S)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid

> <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      -1.154   1.999   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.180   1.229   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.513   1.999   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.847   1.229   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.847  -0.311   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.513  -1.081   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.513  -2.621   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.847  -3.391   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.181  -2.621   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.181  -1.081   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.514  -3.391   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.284  -2.057   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.848  -4.161   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.744  -4.725   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.514  -6.058   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.744  -7.392   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.204  -7.392   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       5.514  -8.726   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       4.744 -10.059   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.514 -11.393   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.054 -11.393   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.824 -12.727   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.364 -12.727   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.134 -14.060   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.674 -14.060   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      12.444 -15.394   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       9.364 -15.394   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      10.134 -16.728   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.824 -15.394   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       7.054 -16.728   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.054 -14.060   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.514 -14.060   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.744 -12.727   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.204 -12.727   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.434 -11.393   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.894 -11.393   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.124 -10.059   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       3.204 -10.059   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.434  -8.726   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       1.770  -0.054   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.770   0.972   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.180  -0.311   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -1.154  -1.081   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   40   42                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   38                                                  
CONECT   20   19   21   33                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   22   32                                                  
CONECT   32   31                                                            
CONECT   33   20   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   19   39                                                  
CONECT   39   38                                                            
CONECT   40    6   41                                                       
CONECT   41   40    3                                                       
CONECT   42    6    2   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Value	Source
(6Z)-N-[2-Hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2S)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidate	Generator

Chemical Formula

C₃₁H₄₃NO₁₁

Average Mass

605.6810 Da

Monoisotopic Mass

605.28361 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)(CCC(O)=NC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(CO)=C1O)C(=O)\C=C/C12CCC(CC1)C(=C)[C@@H]2O

InChI Identifier

InChI=1S/C31H43NO11/c1-16-17-6-11-31(12-7-17,28(16)41)13-8-21(35)30(2,3)10-9-22(36)32-23-19(5-4-18(14-33)24(23)37)42-29-27(40)26(39)25(38)20(15-34)43-29/h4-5,8,13,17,20,25-29,33-34,37-41H,1,6-7,9-12,14-15H2,2-3H3,(H,32,36)/b13-8-/t17?,20?,25?,26?,27?,28-,29?,31?/m0/s1

InChI Key

LNFWBEMAQKSEOI-FTFMEUTMSA-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
Streptomyces platensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
Phenoxy compound
Phenol ether
Benzyl alcohol
1-hydroxy-4-unsubstituted benzenoid
Phenol
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Alpha,beta-unsaturated ketone
Enone
Cyclic alcohol
Acryloyl-group
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Carboximidic acid derivative
Carboximidic acid
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organonitrogen compound
Carbonyl group
Alcohol
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

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

162820842

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid (NP0317514)

MOL for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

3D MOL for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

3D SDF for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

3D-SDF for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

PDB for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

3D PDB for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

SMILES for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

INCHI for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

Structure for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)

3D Structure for NP0317514 ((6z)-n-[2-hydroxy-3-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-7-[(2s)-2-hydroxy-3-methylidenebicyclo[2.2.2]octan-1-yl]-4,4-dimethyl-5-oxohept-6-enimidic acid)