NP-MRD: Showing NP-Card for (1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione (NP0187667)

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Record Information

Version

2.0

Created at

2022-09-04 03:53:00 UTC

Updated at

2022-09-04 03:53:00 UTC

NP-MRD ID

NP0187667

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione

Description

(1R,2S,17S)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]Nonacosa-5(14),6(11),7,9,15,19(28),20(25),21,23-nonaene-13,27-dione belongs to the class of organic compounds known as pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. Based on a literature review very few articles have been published on (1R,2S,17S)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]Nonacosa-5(14),6(11),7,9,15,19(28),20(25),21,23-nonaene-13,27-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042205532D          

 44 50  0  0  1  0            999 V2000
   -4.7241   -1.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 44  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042205532D          

 44 50  0  0  1  0            999 V2000
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   -1.7510   -2.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0041   -2.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3044   -1.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3641   -2.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1707   -2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -0.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.9039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3434   -2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026    0.2449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8878   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641   -0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880   -0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4643   -1.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883   -1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5599   -0.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0077   -0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597   -0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    0.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358   -0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.6434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355    0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    1.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110   -1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684   -0.1314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1851    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136    0.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959    1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916    0.3070    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  2  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
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 23 37  1  0  0  0  0
 37 38  2  0  0  0  0
 24 39  1  0  0  0  0
 19 39  1  0  0  0  0
 22 40  1  0  0  0  0
 40 17  1  1  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
  7 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0187667

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C3=C([C@@H]4C[C@](C)(O3)C=C3[C@H]4C(C)(C)OC4=C3C(=O)N(C)C3=C(OC)C(OC)=CC=C43)C(=O)N(C)C2=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C34H36N2O8/c1-33(2)24-18(22-27(43-33)16-10-12-20(39-6)29(41-8)25(16)35(4)31(22)37)14-34(3)15-19(24)23-28(44-34)17-11-13-21(40-7)30(42-9)26(17)36(5)32(23)38/h10-14,19,24H,15H2,1-9H3/t19-,24+,34+/m0/s1

> <INCHI_KEY>
ZKVUMAGANAFQHH-RVOJNLEDSA-N

> <FORMULA>
C34H36N2O8

> <MOLECULAR_WEIGHT>
600.668

> <EXACT_MASS>
600.247166127

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
64.18330067397906

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,17S)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{6,11}.0^{19,28}.0^{20,25}]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione

> <JCHEM_LOGP>
1.643903594666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.07880880756445918

> <JCHEM_POLAR_SURFACE_AREA>
96.00000000000001

> <JCHEM_REFRACTIVITY>
165.2774

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,17S)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{6,11}.0^{19,28}.0^{20,25}]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione

> <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      -8.818  -3.653   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -8.346  -2.187   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -6.840  -1.864   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.368  -0.398   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.862  -0.074   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.829  -1.216   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.324  -0.893   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.290  -2.035   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.763  -3.500   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.730  -4.642   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      -3.268  -3.824   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -3.741  -5.290   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.302  -2.682   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.807  -3.006   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.280  -4.471   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -7.785  -4.795   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.215  -1.711   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.918  -3.082   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.383  -3.554   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.508  -5.089   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.719  -1.589   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.058   0.457   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.524  -0.015   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.226  -1.386   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.764  -1.463   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.467  -2.833   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.005  -2.911   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.840  -1.617   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.379  -1.694   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.214  -0.401   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.138  -0.247   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.974   1.047   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.272   2.418   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.600  -0.169   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       5.898   1.201   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       6.733   2.495   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.360   1.278   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.657   2.649   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.754  -2.852   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       0.688  -0.245   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.345   0.897   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.959   1.716   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.926   2.323   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -1.851   0.573   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8   44                                                  
CONECT    8    7    9   17                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    6   14                                                  
CONECT   14   13    3   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17    8   18   40                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21   39                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   40                                                  
CONECT   23   22   24   37                                                  
CONECT   24   23   25   39                                                  
CONECT   25   24   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   25   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   23   38                                                  
CONECT   38   37                                                            
CONECT   39   24   19                                                       
CONECT   40   22   17   41                                                  
CONECT   41   40   42   43   44                                             
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   41    7                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₆N₂O₈

Average Mass

600.6680 Da

Monoisotopic Mass

600.24717 Da

IUPAC Name

(1R,2S,17S)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{6,11}.0^{19,28}.0^{20,25}]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C3=C([C@@H]4C[C@](C)(O3)C=C3[C@H]4C(C)(C)OC4=C3C(=O)N(C)C3=C(OC)C(OC)=CC=C43)C(=O)N(C)C2=C1OC

InChI Identifier

InChI=1S/C34H36N2O8/c1-33(2)24-18(22-27(43-33)16-10-12-20(39-6)29(41-8)25(16)35(4)31(22)37)14-34(3)15-19(24)23-28(44-34)17-11-13-21(40-7)30(42-9)26(17)36(5)32(23)38/h10-14,19,24H,15H2,1-9H3/t19-,24+,34+/m0/s1

InChI Key

ZKVUMAGANAFQHH-RVOJNLEDSA-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 pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinolones and derivatives

Direct Parent

Pyranoquinolines

Alternative Parents

Substituents

Pyranoquinoline
Dihydroquinolone
Dihydroquinoline
Pyranopyridine
Anisole
Alkyl aryl ether
Pyridinone
Pyran
Pyridine
Benzenoid
Heteroaromatic compound
Vinylogous ester
Lactam
Oxacycle
Ether
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen 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
logP	1.64	ChemAxon
pKa (Strongest Basic)	0.079	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	96 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	165.28 m³·mol⁻¹	ChemAxon
Polarizability	64.18 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	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

162965736

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione (NP0187667)

MOL for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

3D MOL for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

3D SDF for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

3D-SDF for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

PDB for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

3D PDB for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

SMILES for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

INCHI for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

Structure for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)

3D Structure for NP0187667 ((1r,2s,17s)-9,10,23,24-tetramethoxy-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione)