NP-MRD: Showing NP-Card for n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide (NP0152054)

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Record Information

Version

2.0

Created at

2022-09-02 08:28:01 UTC

Updated at

2022-09-02 08:28:01 UTC

NP-MRD ID

NP0152054

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide

Description

N-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]Nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-N-methylformamide belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide is found in Reidispongia coerulea. N-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]Nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-N-methylformamide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191514312D          

 68 69  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  4  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  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 41 65  1  0  0  0  0
 36 65  1  0  0  0  0
 65 66  1  0  0  0  0
 34 67  1  0  0  0  0
 67 68  1  0  0  0  0
M  END

     RDKit          3D

153154  0  0  0  0  0  0  0  0999 V2000
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M  END


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 57 58  1  0  0  0  0
 59 56  1  4  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 24 61  1  0  0  0  0
 61 62  1  0  0  0  0
 44 63  1  0  0  0  0
 63 64  1  0  0  0  0
 41 65  1  0  0  0  0
 36 65  1  0  0  0  0
 65 66  1  0  0  0  0
 34 67  1  0  0  0  0
 67 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152054

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(CC=CN(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(CC2=CC(=O)OC(C2O)C(C)C(CC(OC)C=CC(C)C(O)CC(OC)C=CC1C)OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3

> <INCHI_KEY>
MINVLQAHLUCDIO-UHFFFAOYSA-N

> <FORMULA>
C53H85NO14

> <MOLECULAR_WEIGHT>
960.256

> <EXACT_MASS>
959.597006421

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
153

> <JCHEM_AVERAGE_POLARIZABILITY>
106.90499342037029

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-N-methylformamide

> <ALOGPS_LOGP>
5.31

> <JCHEM_LOGP>
5.979915677333334

> <ALOGPS_LOGS>
-5.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.830874547015505

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.48670066850627

> <JCHEM_PKA_STRONGEST_BASIC>
-2.882015039406271

> <JCHEM_POLAR_SURFACE_AREA>
185.81999999999996

> <JCHEM_REFRACTIVITY>
267.5826

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.46e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-N-methylformamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -13.337  -3.080   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0     -13.337  -4.620   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0     -12.003  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.532   0.161   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      16.004  -3.080   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      14.670   0.770   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      10.669   0.000   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9                                                            
CONECT   11    3   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   61                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   67                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   65                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   65                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   63                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   49                                                  
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   46   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57   59                                                  
CONECT   57   56   58                                                       
CONECT   58   57                                                            
CONECT   59   56   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   24   62                                                  
CONECT   62   61                                                            
CONECT   63   44   64                                                       
CONECT   64   63                                                            
CONECT   65   41   36   66                                                  
CONECT   66   65                                                            
CONECT   67   34   68                                                       
CONECT   68   67                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  138    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₃H₈₅NO₁₄

Average Mass

960.2560 Da

Monoisotopic Mass

959.59701 Da

IUPAC Name

N-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-N-methylformamide

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(CC=CN(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(CC2=CC(=O)OC(C2O)C(C)C(CC(OC)C=CC(C)C(O)CC(OC)C=CC1C)OC)OC

InChI Identifier

InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3

InChI Key

MINVLQAHLUCDIO-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
Reidispongia coerulea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Macrolide
Dihydropyranone
Dicarboxylic acid or derivatives
Pyran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary carboxylic acid amide
Secondary alcohol
Carboxamide group
Carboxylic acid ester
Ketone
Lactone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Dialkyl ether
Ether
Organic nitrogen compound
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Carbonyl group
Organonitrogen 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	5.31	ALOGPS
logP	5.98	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	13.49	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	185.82 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	267.58 m³·mol⁻¹	ChemAxon
Polarizability	106.9 Å³	ChemAxon
Number of Rings	2	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

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 n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide (NP0152054)

MOL for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

3D MOL for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

3D SDF for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

3D-SDF for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

PDB for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

3D PDB for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

SMILES for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

INCHI for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

Structure for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)

3D Structure for NP0152054 (n-(11-{17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl)-n-methylformamide)