NP-MRD: Showing NP-Card for 9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene (NP0247943)

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Record Information

Version

2.0

Created at

2022-09-07 09:58:37 UTC

Updated at

2022-09-07 09:58:37 UTC

NP-MRD ID

NP0247943

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Description

9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene is found in Cocculus pendulus. Based on a literature review very few articles have been published on 9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]Heptatriaconta-3,5,8,10,12(35),18,20,22(34),24,26,31,36-dodecaene.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211582D          

 44 51  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309072211582D          

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    6.9577   -3.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7715   -3.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1146   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -1.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6800   -1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2653   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871   -0.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0189   -2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3387   -2.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049   -3.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1654   -3.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -4.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429   -4.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5699   -5.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -4.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -3.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -2.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818   -2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156   -2.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7176   -1.8270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -2.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -3.2617    0.0000 C   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  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
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 28  1  0  0  0  0
 17 28  1  0  0  0  0
 27 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  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 26 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
  6 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 35 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0247943

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C5OC6=C7C(CC8=CC=C(OC1=C2)C=C8)NCCC7=CC(OC)=C6OC5=C34

> <INCHI_IDENTIFIER>
InChI=1S/C36H36N2O6/c1-38-14-12-23-19-30(41-4)34-36-32(23)26(38)16-21-7-10-27(39-2)28(17-21)42-24-8-5-20(6-9-24)15-25-31-22(11-13-37-25)18-29(40-3)33(44-36)35(31)43-34/h5-10,17-19,25-26,37H,11-16H2,1-4H3

> <INCHI_KEY>
NKNPUQYNGSLMLK-UHFFFAOYSA-N

> <FORMULA>
C36H36N2O6

> <MOLECULAR_WEIGHT>
592.692

> <EXACT_MASS>
592.257336887

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
63.40055086059938

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2^{3,6}.1^{8,12}.1^{14,18}.0^{24,32}.0^{27,31}.0^{22,34}]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene

> <JCHEM_LOGP>
5.77992733

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.550366187909676

> <JCHEM_POLAR_SURFACE_AREA>
70.65

> <JCHEM_REFRACTIVITY>
168.53949999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2^{3,6}.1^{8,12}.1^{14,18}.0^{24,32}.0^{27,31}.0^{22,34}]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       9.588   4.065   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.053   3.943   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.391   2.552   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.836   2.476   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.146   1.079   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.933  -0.285   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.505  -0.090   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.325   1.282   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.998   1.478   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      11.623   1.026   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.812  -0.253   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.663  -1.508   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.143  -2.133   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.904  -0.672   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.224   0.812   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.375  -4.144   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.988  -5.934   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      14.507  -6.063   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      15.147  -4.662   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.234  -3.377   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.469  -3.573   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.333  -2.556   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.829  -2.528   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.936  -1.274   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.403  -1.419   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.369  -3.938   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.234  -5.235   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.832  -4.999   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       9.342  -6.523   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.775  -6.461   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.896  -7.732   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.547  -9.128   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.664 -10.389   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.356  -7.590   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.674  -6.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.503  -4.836   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.059  -5.060   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.869  -3.774   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.778  -3.375   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.265  -1.792   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0       3.206  -3.410   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0       2.443  -2.073   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.385  -4.729   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.124  -6.089   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   40                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16   13   17                                                       
CONECT   17   16   18   28                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   38                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27   21   17                                                  
CONECT   29   27   30                                                       
CONECT   30   29   31   37                                                  
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35                                                       
CONECT   35   34   36   44                                                  
CONECT   36   35   37   39                                                  
CONECT   37   36   30   38                                                  
CONECT   38   37   26                                                       
CONECT   39   36   40   41                                                  
CONECT   40   39    6                                                       
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   35                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₆N₂O₆

Average Mass

592.6920 Da

Monoisotopic Mass

592.25734 Da

IUPAC Name

9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2^{3,6}.1^{8,12}.1^{14,18}.0^{24,32}.0^{27,31}.0^{22,34}]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene

Traditional Name

9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2^{3,6}.1^{8,12}.1^{14,18}.0^{24,32}.0^{27,31}.0^{22,34}]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene

CAS Registry Number

Not Available

SMILES

COC1=CC=C2CC3N(C)CCC4=CC(OC)=C5OC6=C7C(CC8=CC=C(OC1=C2)C=C8)NCCC7=CC(OC)=C6OC5=C34

InChI Identifier

InChI=1S/C36H36N2O6/c1-38-14-12-23-19-30(41-4)34-36-32(23)26(38)16-21-7-10-27(39-2)28(17-21)42-24-8-5-20(6-9-24)15-25-31-22(11-13-37-25)18-29(40-3)33(44-36)35(31)43-34/h5-10,17-19,25-26,37H,11-16H2,1-4H3

InChI Key

NKNPUQYNGSLMLK-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
Cocculus pendulus	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	5.78	ChemAxon
pKa (Strongest Basic)	8.55	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	70.65 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	168.54 m³·mol⁻¹	ChemAxon
Polarizability	63.4 Å³	ChemAxon
Number of Rings	8	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

163105216

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene (NP0247943)

MOL for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

3D MOL for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

3D SDF for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

3D-SDF for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

PDB for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

3D PDB for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

SMILES for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

INCHI for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

Structure for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)

3D Structure for NP0247943 (9,20,25-trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaene)