NP-MRD: Showing NP-Card for 36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone (NP0240812)

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Record Information

Version

2.0

Created at

2022-09-07 00:43:32 UTC

Updated at

2022-09-07 00:43:33 UTC

NP-MRD ID

NP0240812

Secondary Accession Numbers

None

Natural Product Identification

Common Name

36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone

Description

36-Chloro-29,32-dihydroxy-15-methoxy-10,11-dimethyl-27-(propan-2-yl)-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]Tetraconta-16,28,33(38),34,36-pentaene-2,9,12,19,26-pentone belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. 36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone is found in Streptomyces alboflavus. Based on a literature review very few articles have been published on 36-chloro-29,32-dihydroxy-15-methoxy-10,11-dimethyl-27-(propan-2-yl)-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]Tetraconta-16,28,33(38),34,36-pentaene-2,9,12,19,26-pentone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072202432D          

 55 61  0  0  0  0            999 V2000
   -2.5723    1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522    0.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3336   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075   -1.0902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436   -0.1975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027   -1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3149   -1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935   -2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6734   -2.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -3.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -2.7553    0.0000 N   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  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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  9 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 17  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 24 37  1  0  0  0  0
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  3 55  1  0  0  0  0
M  END

     RDKit          3D

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 20 76  1  0
M  END


  Mrv1652309072202432D          

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 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
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 48 50  1  0  0  0  0
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 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
  6 54  1  0  0  0  0
 54 55  1  0  0  0  0
  3 55  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0240812

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC2N(N=C1)C(=O)C1CCCNN1C(=O)C(N=C(O)C1CC3(O)C(NC4=CC(Cl)=CC=C34)N1C(=O)C1CCCNN1C(=O)C(C)N(C)C2=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C36H49ClN10O8/c1-18(2)28-34(53)46-25(9-7-13-39-46)33(52)47-26(15-21(55-5)17-40-47)31(50)43(4)19(3)30(49)45-24(8-6-12-38-45)32(51)44-27(29(48)42-28)16-36(54)22-11-10-20(37)14-23(22)41-35(36)44/h10-11,14,17-19,21,24-28,35,38-39,41,54H,6-9,12-13,15-16H2,1-5H3,(H,42,48)

> <INCHI_KEY>
VJXBCUWQWYQTGE-UHFFFAOYSA-N

> <FORMULA>
C36H49ClN10O8

> <MOLECULAR_WEIGHT>
785.3

> <EXACT_MASS>
784.3423363

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
104

> <JCHEM_AVERAGE_POLARIZABILITY>
77.15428894090743

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
36-chloro-29,32-dihydroxy-15-methoxy-10,11-dimethyl-27-(propan-2-yl)-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0^{3,8}.0^{13,18}.0^{20,25}.0^{32,40}.0^{33,38}]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone

> <JCHEM_LOGP>
-1.7419249245394424

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.801367892375264

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.71238997055268

> <JCHEM_PKA_STRONGEST_BASIC>
4.692156273161847

> <JCHEM_POLAR_SURFACE_AREA>
212.05

> <JCHEM_REFRACTIVITY>
219.20470000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0^{3,8}.0^{13,18}.0^{20,25}.0^{32,40}.0^{33,38}]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone

> <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      -4.802   2.275   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.391   0.790   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.900   0.404   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.489  -1.080   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -1.321  -2.035   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       0.081  -0.369   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -0.999  -1.466   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.432  -2.030   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.588  -2.951   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.668  -4.049   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.257  -5.533   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.234  -5.919   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       1.882  -5.143   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       0.903  -3.337   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       1.314  -4.821   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.085  -6.344   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.804  -5.208   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.215  -6.692   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.706  -7.078   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.135  -7.790   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       3.884  -4.110   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       5.375  -4.496   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.786  -5.980   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.455  -3.398   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.994  -3.466   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.534  -2.024   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.738  -2.983   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.818  -1.175   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.309  -1.561   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.389  -0.463   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.978   1.021   0.000  0.00  0.00           C+0
HETATM   32 Cl   UNK     0      13.058   2.119   0.000  0.00  0.00          Cl+0
HETATM   33  C   UNK     0      10.488   1.407   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.408   0.309   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       7.869   0.377   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       7.519  -1.172   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       6.044  -1.914   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       7.124  -0.816   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.615  -1.203   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       6.714   0.668   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.794   1.766   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.383   3.250   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.892   3.636   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0       4.244   2.861   0.000  0.00  0.00           N+0
HETATM   45  N   UNK     0       5.223   1.054   0.000  0.00  0.00           N+0
HETATM   46  C   UNK     0       4.812   2.538   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       5.041   4.061   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       3.321   2.925   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.911   4.409   0.000  0.00  0.00           C+0
HETATM   50  N   UNK     0       2.241   1.827   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0       2.652   0.343   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       0.751   2.213   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       0.340   3.698   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -0.329   1.116   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -1.820   1.502   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   54                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   37                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28   36                                             
CONECT   27   26                                                            
CONECT   28   26   29   34                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   28   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   26   37                                                  
CONECT   37   36   24   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   40   46                                                  
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52    6   55                                                  
CONECT   55   54    3                                                       
MASTER        0    0    0    0    0    0    0    0   55    0  122    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₉ClN₁₀O₈

Average Mass

785.3000 Da

Monoisotopic Mass

784.34234 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1CC2N(N=C1)C(=O)C1CCCNN1C(=O)C(N=C(O)C1CC3(O)C(NC4=CC(Cl)=CC=C34)N1C(=O)C1CCCNN1C(=O)C(C)N(C)C2=O)C(C)C

InChI Identifier

InChI=1S/C36H49ClN10O8/c1-18(2)28-34(53)46-25(9-7-13-39-46)33(52)47-26(15-21(55-5)17-40-47)31(50)43(4)19(3)30(49)45-24(8-6-12-38-45)32(51)44-27(29(48)42-28)16-36(54)22-11-10-20(37)14-23(22)41-35(36)44/h10-11,14,17-19,21,24-28,35,38-39,41,54H,6-9,12-13,15-16H2,1-5H3,(H,42,48)

InChI Key

VJXBCUWQWYQTGE-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 alboflavus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Alpha-amino acid or derivatives
Indole
Dihydroindole
Aryl chloride
Aryl halide
1,2-diazinane
Pyridazine
Benzenoid
Cyclic carboximidic acid
Pyrrole
Tertiary carboxylic acid amide
Tertiary alcohol
Pyrrolidine
Carboxamide group
Carboxylic acid hydrazide
Lactam
N-alkylated hydrazone
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid derivative
Dialkyl ether
Organic 1,3-dipolar compound
Azacycle
Ether
Organochloride
Hydrocarbon derivative
Amine
Organic nitrogen compound
Organohalogen compound
Alcohol
Carbonyl group
Organic oxide
Organic oxygen compound
Organonitrogen 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

76536964

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone (NP0240812)

MOL for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

3D MOL for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

3D SDF for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

3D-SDF for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

PDB for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

3D PDB for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

SMILES for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

INCHI for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

Structure for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)

3D Structure for NP0240812 (36-chloro-29,32-dihydroxy-27-isopropyl-15-methoxy-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-16,28,33,35,37-pentaene-2,9,12,19,26-pentone)