NP-MRD: Showing NP-Card for 20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione (NP0258772)

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Record Information

Version

2.0

Created at

2022-09-08 00:23:33 UTC

Updated at

2022-09-08 00:23:34 UTC

NP-MRD ID

NP0258772

Secondary Accession Numbers

None

Natural Product Identification

Common Name

20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

Description

20-Hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]Pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. 20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione is found in Sorangium cellulosum. 20-Hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]Pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004231523242D          

 54 57  0  0  0  0            999 V2000
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  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11 12  2  0  0  0  0
 13 12  1  4  0  0  0
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 15 16  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  4  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 34  1  0  0  0  0
 35 34  1  4  0  0  0
 35 36  2  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 42  2  0  0  0  0
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 39 43  2  0  0  0  0
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  9 46  1  0  0  0  0
 28 47  1  0  0  0  0
 47 48  1  0  0  0  0
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 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  4  0  0  0
M  END

     RDKit          3D

106109  0  0  0  0  0  0  0  0999 V2000
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  1 55  1  0
  1 56  1  0
  1 57  1  0
M  END


  Mrv1533004231523242D          

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  2  1  1  4  0  0  0
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 39 43  2  0  0  0  0
 42 44  1  0  0  0  0
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 44 46  1  0  0  0  0
  9 46  1  0  0  0  0
 28 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  4  0  0  0
M  END
> <DATABASE_ID>
NP0258772

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=CC(O)C(C)(C)C1CC=CC=CC=CC(O)CC2=NC(=CO2)C(=O)OC(CC=CC2OC2C=CC=CC2=NC(=CO2)C(=O)O1)C(C)(C)C(O)C=CC

> <INCHI_IDENTIFIER>
InChI=1S/C42H52N2O10/c1-7-17-33(46)41(3,4)35-22-13-11-9-10-12-19-28(45)25-38-44-30(27-51-38)40(49)54-36(42(5,6)34(47)18-8-2)23-16-21-32-31(52-32)20-14-15-24-37-43-29(26-50-37)39(48)53-35/h7-21,24,26-28,31-36,45-47H,22-23,25H2,1-6H3

> <INCHI_KEY>
CXONDRPTMWQTGL-UHFFFAOYSA-N

> <FORMULA>
C42H52N2O10

> <MOLECULAR_WEIGHT>
744.882

> <EXACT_MASS>
744.362195882

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
81.35315143014289

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

> <ALOGPS_LOGP>
6.32

> <JCHEM_LOGP>
6.498837292333333

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.294593408561148

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.816381967186803

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5873970523439502

> <JCHEM_POLAR_SURFACE_AREA>
177.88

> <JCHEM_REFRACTIVITY>
211.36530000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0      -3.145  -6.402   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.938  -4.876   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.513  -4.292   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.306  -2.766   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.524  -1.824   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.119  -2.182   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.703  -3.608   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.465  -0.757   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.544  -1.599   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.751  -0.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.533   0.870   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.740   2.396   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.165   2.979   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.383   2.037   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.808   2.621   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.027   1.678   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.452   2.262   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.659   3.788   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.670   1.319   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.095   1.903   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.763   3.290   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      12.289   3.083   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.738   1.544   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      11.313   0.961   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      13.956   0.602   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.749  -0.924   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      15.381   1.186   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      16.599   0.243   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      16.392  -1.283   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      17.610  -2.225   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.403  -3.751   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.978  -4.335   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      16.185  -2.809   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.760  -3.392   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.335  -3.976   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.117  -3.034   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.691  -3.617   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.473  -2.675   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.048  -3.259   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       7.380  -4.646   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.854  -4.439   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.405  -2.900   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0       6.830  -2.316   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0       4.187  -1.957   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.394  -0.431   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       2.762  -2.541   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      18.024   0.827   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      18.608  -0.598   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      17.440   2.252   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      19.449   1.411   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      20.667   0.468   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      19.656   2.937   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      21.081   3.520   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      21.289   5.046   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   46                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   20                                                       
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   47                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32   34                                                       
CONECT   34   33   32   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42   39                                                       
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44    9                                                       
CONECT   47   28   48   49   50                                             
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   47   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₅₂N₂O₁₀

Average Mass

744.8820 Da

Monoisotopic Mass

744.36220 Da

IUPAC Name

20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

Traditional Name

20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

CAS Registry Number

Not Available

SMILES

CC=CC(O)C(C)(C)C1CC=CC=CC=CC(O)CC2=NC(=CO2)C(=O)OC(CC=CC2OC2C=CC=CC2=NC(=CO2)C(=O)O1)C(C)(C)C(O)C=CC

InChI Identifier

InChI=1S/C42H52N2O10/c1-7-17-33(46)41(3,4)35-22-13-11-9-10-12-19-28(45)25-38-44-30(27-51-38)40(49)54-36(42(5,6)34(47)18-8-2)23-16-21-32-31(52-32)20-14-15-24-37-43-29(26-50-37)39(48)53-35/h7-21,24,26-28,31-36,45-47H,22-23,25H2,1-6H3

InChI Key

CXONDRPTMWQTGL-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
Sorangium cellulosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Dicarboxylic acids and derivatives

Direct Parent

Dicarboxylic acids and derivatives

Alternative Parents

Substituents

Dicarboxylic acid or derivatives
Azole
Oxazole
Heteroaromatic compound
Carboxylic acid ester
Lactone
Secondary alcohol
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Azacycle
Alcohol
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen 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	6.32	ALOGPS
logP	6.5	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	13.82	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	177.88 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	211.37 m³·mol⁻¹	ChemAxon
Polarizability	81.35 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

74041726

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione (NP0258772)

MOL for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

3D MOL for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

3D SDF for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

3D-SDF for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

PDB for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

3D PDB for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

SMILES for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

INCHI for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

Structure for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)

3D Structure for NP0258772 (20-hydroxy-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione)