NP-MRD: Showing NP-Card for 12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate (NP0198796)

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Record Information

Version

2.0

Created at

2022-09-04 17:18:30 UTC

Updated at

2022-09-04 17:18:30 UTC

NP-MRD ID

NP0198796

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate

Description

Lamellarin K diacetate belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Based on a literature review very few articles have been published on Lamellarin K diacetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042219182D          

 45 50  0  0  0  0            999 V2000
    1.5669   -3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -2.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814   -0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    1.5402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8912    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5941   -1.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2351   -1.7698    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
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  5 39  2  0  0  0  0
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  3 41  1  0  0  0  0
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 43 45  2  0  0  0  0
M  END

     RDKit          3D

 74 79  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309042219182D          

 45 50  0  0  0  0            999 V2000
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    1.2243    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896    1.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -2.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -3.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248   -3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -4.2669    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 25  1  0  0  0  0
  9 25  2  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
  7 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  0  0  0  0
  5 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0198796

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1OC(C)=O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=CC(OC)=C(OC(C)=O)C=C1OC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H29NO11/c1-15(35)43-21-8-7-17(11-23(21)39-3)27-28-20-13-24(40-4)25(44-16(2)36)14-22(20)45-33(38)30(28)34-10-9-18-19(29(27)34)12-26(41-5)32(42-6)31(18)37/h7-8,11-14,37H,9-10H2,1-6H3

> <INCHI_KEY>
AJRUMLDNLVVFKR-UHFFFAOYSA-N

> <FORMULA>
C33H29NO11

> <MOLECULAR_WEIGHT>
615.591

> <EXACT_MASS>
615.174060758

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
64.0552691626701

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0^{2,11}.0^{5,10}.0^{14,19}]henicosa-2(11),5,7,9,12,14(19),15,17-octaen-7-yl acetate

> <JCHEM_LOGP>
3.683500661666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.92782111495402

> <JCHEM_PKA_STRONGEST_BASIC>
-4.312521613974331

> <JCHEM_POLAR_SURFACE_AREA>
140.98000000000002

> <JCHEM_REFRACTIVITY>
160.03009999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0^{2,11}.0^{5,10}.0^{14,19}]henicosa-2(11),5,7,9,12,14(19),15,17-octaen-7-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       2.925  -5.655   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.925  -4.115   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.259  -3.345   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.259  -1.805   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.592  -1.035   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.592   0.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.346   1.410   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       4.822   2.875   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       6.362   2.875   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.393   4.019   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.917   5.484   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       8.899   3.699   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.375   2.235   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.881   1.914   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.357   0.450   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.864   0.130   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      13.339  -1.335   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.846  -1.655   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.309  -2.479   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.327  -0.695   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.803  -2.159   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.772  -3.304   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.820  -0.374   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.344   1.090   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.838   1.410   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.792   4.019   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.285   3.699   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.810   2.235   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.840   1.090   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.364  -0.374   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.858  -0.695   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.382  -2.159   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.124  -2.479   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.173   0.450   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.679   0.130   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -2.155  -1.335   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.303   1.914   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -0.727   3.059   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.926  -1.805   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.926  -3.345   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.592  -4.115   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       5.592  -5.655   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       6.926  -6.425   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.260  -5.655   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       6.926  -7.965   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7   25                                                  
CONECT    7    6    8   29                                                  
CONECT    8    7    9   26                                                  
CONECT    9    8   10   25                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   24                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24                                                       
CONECT   24   23   13   25                                                  
CONECT   25   24    6    9                                                  
CONECT   26    8   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   37                                                  
CONECT   29   28    7   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   28   38                                                  
CONECT   38   37                                                            
CONECT   39    5   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40    3   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Value	Source
Lamellarin K diacetic acid	Generator

Chemical Formula

C₃₃H₂₉NO₁₁

Average Mass

615.5910 Da

Monoisotopic Mass

615.17406 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1OC(C)=O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=CC(OC)=C(OC(C)=O)C=C1OC2=O

InChI Identifier

InChI=1S/C33H29NO11/c1-15(35)43-21-8-7-17(11-23(21)39-3)27-28-20-13-24(40-4)25(44-16(2)36)14-22(20)45-33(38)30(28)34-10-9-18-19(29(27)34)12-26(41-5)32(42-6)31(18)37/h7-8,11-14,37H,9-10H2,1-6H3

InChI Key

AJRUMLDNLVVFKR-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrroles

Sub Class

Substituted pyrroles

Direct Parent

Phenylpyrroles

Alternative Parents

Substituents

Coumarin
3-phenylpyrrole
Benzopyran
Phenol ester
1-benzopyran
Phenoxy compound
Methoxybenzene
Anisole
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Pyran
Heteroaromatic compound
Carboxylic acid ester
Lactone
Ether
Oxacycle
Carboxylic acid derivative
Azacycle
Organonitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organooxygen compound
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

102074099

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate (NP0198796)

MOL for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

3D MOL for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

3D SDF for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

3D-SDF for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

PDB for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

3D PDB for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

SMILES for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

INCHI for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

Structure for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)

3D Structure for NP0198796 (12-[4-(acetyloxy)-3-methoxyphenyl]-18-hydroxy-8,16,17-trimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-yl acetate)