NP-MRD: Showing NP-Card for (6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one (NP0146241)

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Record Information

Version

2.0

Created at

2022-09-02 01:36:00 UTC

Updated at

2022-09-02 01:36:00 UTC

NP-MRD ID

NP0146241

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

Description

(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]Tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]Tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022203362D          

 61 63  0  0  0  0            999 V2000
   12.7498  -13.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2124  -12.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4016  -12.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8642  -12.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376  -11.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6002  -10.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9231  -11.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3569  -11.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319  -11.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1603  -10.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566  -10.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0878   -2.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8776   -3.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1282  -13.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6655  -14.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4763  -14.0309    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  1  0  0  0  0
  4  5  1  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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
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M  END

     RDKit          3D

130132  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309022203362D          

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M  END
> <DATABASE_ID>
NP0146241

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(OC2\C=C/C=C\C3=COC(=N3)C(C)C(O)CC(O)\C=C/C=C\C=C/C(C)C(OC(=O)\C=C/C=C\C=C/C(/C)=C\C2C)C(C)C(O)CC(C)O)OC(C)C(O)C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11-,13-10-,20-14-,21-15-,22-18-,23-16-,24-19-,25-17-,30-26-

> <INCHI_KEY>
FWDYAUGDLMQNBQ-QSXYATNOSA-N

> <FORMULA>
C48H69NO12

> <MOLECULAR_WEIGHT>
852.075

> <EXACT_MASS>
851.481976666

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
130

> <JCHEM_AVERAGE_POLARIZABILITY>
92.09410592614282

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

> <ALOGPS_LOGP>
5.78

> <JCHEM_LOGP>
5.550044050333334

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.141969411564755

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.087774562610566

> <JCHEM_PKA_STRONGEST_BASIC>
0.12174031098651028

> <JCHEM_POLAR_SURFACE_AREA>
190.39999999999995

> <JCHEM_REFRACTIVITY>
244.14670000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.27e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      23.800 -24.738   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      22.796 -23.570   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      21.283 -23.854   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.280 -22.686   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      20.790 -21.233   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      19.787 -20.064   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.523 -20.944   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.108 -21.551   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.599 -21.861   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.059 -21.861   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.551 -21.551   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.846 -20.040   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.499 -19.292   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.372 -20.342   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      11.022 -21.738   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       8.811 -18.948   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.633 -19.940   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.996 -17.641   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.614 -18.319   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.461 -16.197   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.228 -14.675   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.690 -14.753   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.306 -13.137   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.692 -11.646   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.370 -10.263   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.313  -9.045   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.481  -8.042   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.828  -7.295   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.297  -6.834   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.987  -5.325   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.829  -6.678   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.829  -5.138   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.496  -4.368   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.163  -4.368   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      16.163  -2.828   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      17.497  -5.138   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      18.830  -4.368   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.830  -2.828   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      20.164  -5.138   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      16.362  -6.834   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      17.831  -7.295   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      18.438  -5.880   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      19.177  -8.042   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      20.346  -9.045   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      21.289 -10.263   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      21.967 -11.646   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      22.353 -13.137   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      22.431 -14.675   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      22.198 -16.197   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      23.688 -16.583   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      21.663 -17.641   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      20.848 -18.948   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      22.066 -19.891   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      18.766 -22.970   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      18.256 -24.423   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.742 -24.707   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      19.259 -25.591   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      18.749 -27.044   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      20.773 -25.307   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      21.776 -26.475   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      23.289 -26.191   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   59                                                  
CONECT    4    3    5   54                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   52                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   11                                                       
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   40                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   31   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52                                                       
CONECT   52   51    6   53                                                  
CONECT   53   52                                                            
CONECT   54    4   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57    3   60                                                  
CONECT   60   59   61                                                       
CONECT   61   60                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  126    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₈H₆₉NO₁₂

Average Mass

852.0750 Da

Monoisotopic Mass

851.48198 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(OC2\C=C/C=C\C3=COC(=N3)C(C)C(O)CC(O)\C=C/C=C\C=C/C(C)C(OC(=O)\C=C/C=C\C=C/C(/C)=C\C2C)C(C)C(O)CC(C)O)OC(C)C(O)C1OC

InChI Identifier

InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11-,13-10-,20-14-,21-15-,22-18-,23-16-,24-19-,25-17-,30-26-

InChI Key

FWDYAUGDLMQNBQ-QSXYATNOSA-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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Oxane
Monosaccharide
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxazole
Azole
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Alcohol
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	5.78	ALOGPS
logP	5.55	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	13.09	ChemAxon
pKa (Strongest Basic)	0.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	190.4 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	244.15 m³·mol⁻¹	ChemAxon
Polarizability	92.09 Å³	ChemAxon
Number of Rings	3	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

139587519

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one (NP0146241)

MOL for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D MOL for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D SDF for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D-SDF for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

PDB for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D PDB for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

SMILES for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

INCHI for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

Structure for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D Structure for NP0146241 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)