NP-MRD: Showing NP-Card for 7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid (NP0167162)

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Record Information

Version

2.0

Created at

2022-09-03 02:41:54 UTC

Updated at

2022-09-03 02:41:54 UTC

NP-MRD ID

NP0167162

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

Description

7-{4-[(7-Cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]Hept-3-en-2-yl}-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid is found in Streptomyces nodosus. 7-{4-[(7-Cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]Hept-3-en-2-yl}-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201504552D          

 40 43  0  0  0  0            999 V2000
    9.7813    3.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3441    3.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9908    3.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1783    3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8962    4.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    2.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    2.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4928    2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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 16 32  1  0  0  0  0
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 13 36  1  0  0  0  0
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  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004201504552D          

 40 43  0  0  0  0            999 V2000
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   11.1934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3215    4.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5566    4.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0211    5.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531    4.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  4  0  0  0
  7  8  2  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
 11 10  1  4  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
 22 21  1  4  0  0  0
 22 23  2  0  0  0  0
 24 23  1  4  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 13 36  1  0  0  0  0
 34 36  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0167162

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=C(NC(=O)C=CC=CC=CC2(O)C=C(NC(=O)C=CC=CC=CC3CCCCC3)C(=O)C3OC23)C(=O)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)

> <INCHI_KEY>
SSHVAUUEPNULMP-UHFFFAOYSA-N

> <FORMULA>
C31H34N2O7

> <MOLECULAR_WEIGHT>
546.62

> <EXACT_MASS>
546.236601443

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
61.24767852291076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-[4-(7-cyclohexylhepta-2,4,6-trienamido)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienamide

> <ALOGPS_LOGP>
4.40

> <JCHEM_LOGP>
2.4813275796666656

> <ALOGPS_LOGS>
-5.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.599998258946531

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.044304686456794

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3459238046351296

> <JCHEM_POLAR_SURFACE_AREA>
145.32999999999998

> <JCHEM_REFRACTIVITY>
159.2854

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.51e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-[4-(7-cyclohexylhepta-2,4,6-trienamido)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  O   UNK     0      18.258   5.725   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      17.442   7.031   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.906   7.139   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      14.916   5.959   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      13.400   6.227   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.873   7.674   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      12.410   5.047   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.893   5.314   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.903   4.135   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.387   4.402   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.397   3.222   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.880   3.490   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.890   2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.900   3.490   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.224   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.224   0.000   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       7.558  -0.770   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       8.891  -0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.891   1.540   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.225  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.559  -0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.892  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.226  -0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.560  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.893  -0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      18.227  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.561  -0.000   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.894  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.894  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      19.561  -3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      18.227  -2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.890  -0.770   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.890  -2.310   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.556   0.000   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.223   0.770   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.556   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.533   8.633   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.106   9.210   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      16.839   9.449   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      18.019   8.459   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   36                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   32                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   16   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34   36                                                       
CONECT   36   35   13   34                                                  
CONECT   37    3   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39    2                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidate	Generator

Chemical Formula

C₃₁H₃₄N₂O₇

Average Mass

546.6200 Da

Monoisotopic Mass

546.23660 Da

IUPAC Name

7-[4-(7-cyclohexylhepta-2,4,6-trienamido)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienamide

Traditional Name

7-[4-(7-cyclohexylhepta-2,4,6-trienamido)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienamide

CAS Registry Number

Not Available

SMILES

OC1=C(NC(=O)C=CC=CC=CC2(O)C=C(NC(=O)C=CC=CC=CC3CCCCC3)C(=O)C3OC23)C(=O)CC1

InChI Identifier

InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)

InChI Key

SSHVAUUEPNULMP-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
Streptomyces nodosus subsp. asukaensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Tertiary alcohol
Vinylogous acid
Carboximidic acid
Carboximidic acid derivative
Dialkyl ether
Oxirane
Ether
Propargyl-type 1,3-dipolar organic compound
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Alcohol
Organic oxide
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	4.4	ALOGPS
logP	2.48	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	9.04	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	145.33 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	159.29 m³·mol⁻¹	ChemAxon
Polarizability	61.25 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid (NP0167162)

MOL for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

3D MOL for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

3D SDF for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

3D-SDF for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

PDB for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

3D PDB for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

SMILES for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

INCHI for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

Structure for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)

3D Structure for NP0167162 (7-{4-[(7-cyclohexyl-1-hydroxyhepta-2,4,6-trien-1-ylidene)amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl}-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid)