NP-MRD: Showing NP-Card for (1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione (NP0260545)

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Record Information

Version

2.0

Created at

2022-09-08 02:44:37 UTC

Updated at

2022-09-08 02:44:37 UTC

NP-MRD ID

NP0260545

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione

Description

Streptoseomycin belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. (1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione is found in Streptomyces seoulensis. (1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione was first documented in 2018 (PMID: 29697266). Based on a literature review a small amount of articles have been published on Streptoseomycin (PMID: 33828077) (PMID: 31789016) (PMID: 30867595).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082204442D          

 43 48  0  0  1  0            999 V2000
    2.7169   -1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309082204442D          

 43 48  0  0  1  0            999 V2000
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   -0.3719    3.2753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1631    3.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    2.6891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3239    2.4475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5828    3.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    2.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489    2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    2.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3719    3.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    3.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    4.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1631    5.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3278    4.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    3.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    3.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8359    2.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7013    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2234    0.7297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020    0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587    1.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5366    2.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2373    1.6352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8281    0.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4349   -0.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6555    2.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    2.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8186    3.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    4.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0051    4.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  1  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  1  0  0  0
 10 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  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  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
 28 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 27 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0260545

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1C[C@H]2C=C[C@H]3C[C@@H]4C[C@@H](O)[C@H]3[C@]2(O4)\C(C)=C\[C@H]2COC(=O)CCC3=C(\C=C\OC[C@@H](O)[C@H]2OC1=O)C(=O)N=C3O

> <INCHI_IDENTIFIER>
InChI=1S/C31H37NO11/c1-15-9-17-13-41-25(35)6-5-20-21(29(37)32-28(20)36)7-8-40-14-23(34)27(17)42-30(38)24(39-2)11-18-4-3-16-10-19-12-22(33)26(16)31(15,18)43-19/h3-4,7-9,16-19,22-24,26-27,33-34H,5-6,10-14H2,1-2H3,(H,32,36,37)/b8-7+,15-9+/t16-,17-,18+,19+,22+,23+,24-,26-,27-,31-/m0/s1

> <INCHI_KEY>
WDIQWUUGAGPORQ-XEJZVVRLSA-N

> <FORMULA>
C31H37NO11

> <MOLECULAR_WEIGHT>
599.633

> <EXACT_MASS>
599.236661015

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.99274112378316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2E,4S,15E,19R,20S,23S,25S,28R,30R,32R,33S)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0^{1,25}.0^{4,20}.0^{10,14}.0^{28,33}]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione

> <JCHEM_LOGP>
-0.3366713876666646

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.342321635799202

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.9660244414055015

> <JCHEM_PKA_STRONGEST_BASIC>
-2.614085000651019

> <JCHEM_POLAR_SURFACE_AREA>
170.40999999999997

> <JCHEM_REFRACTIVITY>
151.22800000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2E,4S,15E,19R,20S,23S,25S,28R,30R,32R,33S)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0^{1,25}.0^{4,20}.0^{10,14}.0^{28,33}]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       5.072  -2.046   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.945  -0.995   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.292   0.505   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.985   1.408   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.297   2.899   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.805   2.359   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.373   3.464   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.138   5.152   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.613   7.067   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.839   7.361   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.023   7.771   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.694   6.114   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.171   5.678   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.948   5.020   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.471   4.569   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.955   6.145   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.129   4.317   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.156   2.777   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.691   4.610   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.269   4.453   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.161   5.708   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.520   7.108   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.412   8.363   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.771   9.764   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.945   8.218   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.586   6.818   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.119   6.673   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.760   5.273   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.868   4.018   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.509   2.617   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      11.617   1.362   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.084   1.507   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.443   2.907   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.335   4.163   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       7.910   3.052   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.146   1.639   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.844   0.741   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.412  -0.691   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      14.290   5.450   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      15.332   4.316   0.000  0.00  0.00           O+0
HETATM   41  N   UNK     0      14.595   6.959   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      13.253   7.715   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.076   9.245   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   15                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    8   15                                                  
CONECT   15   14    5   16   17                                             
CONECT   16   15   10                                                       
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   35                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   42                                                  
CONECT   28   27   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   20   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36    3   38                                                  
CONECT   38   37                                                            
CONECT   39   28   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   27   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₇NO₁₁

Average Mass

599.6330 Da

Monoisotopic Mass

599.23666 Da

IUPAC Name

(1S,2E,4S,15E,19R,20S,23S,25S,28R,30R,32R,33S)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0^{1,25}.0^{4,20}.0^{10,14}.0^{28,33}]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@H]1C[C@H]2C=C[C@H]3C[C@@H]4C[C@@H](O)[C@H]3[C@]2(O4)\C(C)=C\[C@H]2COC(=O)CCC3=C(\C=C\OC[C@@H](O)[C@H]2OC1=O)C(=O)N=C3O

InChI Identifier

InChI=1S/C31H37NO11/c1-15-9-17-13-41-25(35)6-5-20-21(29(37)32-28(20)36)7-8-40-14-23(34)27(17)42-30(38)24(39-2)11-18-4-3-16-10-19-12-22(33)26(16)31(15,18)43-19/h3-4,7-9,16-19,22-24,26-27,33-34H,5-6,10-14H2,1-2H3,(H,32,36,37)/b8-7+,15-9+/t16-,17-,18+,19+,22+,23+,24-,26-,27-,31-/m0/s1

InChI Key

WDIQWUUGAGPORQ-XEJZVVRLSA-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 seoulensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Oxane
Dicarboxylic acid or derivatives
Cyclic alcohol
N-acylimine
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-0.34	ChemAxon
pKa (Strongest Acidic)	4.97	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	170.41 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	151.23 m³·mol⁻¹	ChemAxon
Polarizability	58.99 Å³	ChemAxon
Number of Rings	6	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

65323265

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

138963718

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang B, Wang KB, Wang W, Bi SF, Mei YN, Deng XZ, Jiao RH, Tan RX, Ge HM: Discovery, Biosynthesis, and Heterologous Production of Streptoseomycin, an Anti-Microaerophilic Bacteria Macrodilactone. Org Lett. 2018 May 18;20(10):2967-2971. doi: 10.1021/acs.orglett.8b01006. Epub 2018 Apr 26. [PubMed:29697266 ]
Wang KB, Wang W, Zhang B, Wang X, Chen Y, Zhu HJ, Liang Y, Tan RX, Ge HM: A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis. Nat Commun. 2021 Apr 7;12(1):2092. doi: 10.1038/s41467-021-22395-7. [PubMed:33828077 ]
McLeod D, Thogersen MK, Jessen NI, Jorgensen KA, Jamieson CS, Xue XS, Houk KN, Liu F, Hoffmann R: Expanding the Frontiers of Higher-Order Cycloadditions. Acc Chem Res. 2019 Dec 17;52(12):3488-3501. doi: 10.1021/acs.accounts.9b00498. Epub 2019 Dec 2. [PubMed:31789016 ]
Zhang B, Wang KB, Wang W, Wang X, Liu F, Zhu J, Shi J, Li LY, Han H, Xu K, Qiao HY, Zhang X, Jiao RH, Houk KN, Liang Y, Tan RX, Ge HM: Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products. Nature. 2019 Apr;568(7750):122-126. doi: 10.1038/s41586-019-1021-x. Epub 2019 Mar 13. [PubMed:30867595 ]
LOTUS database [Link]

Showing NP-Card for (1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione (NP0260545)

MOL for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

3D MOL for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

3D SDF for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

3D-SDF for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

PDB for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

3D PDB for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

SMILES for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

INCHI for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

Structure for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)

3D Structure for NP0260545 ((1s,2e,4s,15e,19r,20s,23s,25s,28r,30r,32r,33s)-11,19,32-trihydroxy-23-methoxy-2-methyl-6,17,21,34-tetraoxa-12-azahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),11,15,26-pentaene-7,13,22-trione)