NP-MRD: Showing NP-Card for Saccharothrixin D (NP0352268)

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Record Information

Version

2.0

Created at

2026-02-05 14:48:21 UTC

Updated at

2026-02-05 16:00:44 UTC

NP-MRD ID

NP0352268

Natural Product DOI

https://doi.org/10.57994/5428

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Saccharothrixin D

Description

Saccharothrixin D was first documented in 2021 (PMID: 34784196).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03062312022D          

 27 31  0  0  1  0            999 V2000
    1.0802    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.6691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5401   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -0.0454    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2700    0.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    0.8900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6203    1.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903    0.2664    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4304   -0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.5132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1604   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.7341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.4223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9705    1.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 16  2  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 25  1  0  0  0  0
 26 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  1  0  0  0
M  END


  Mrv2104 03062312022D          

 27 31  0  0  1  0            999 V2000
    1.0802    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.6691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5401   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -0.0454    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2700    0.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    0.8900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6203    1.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903    0.2664    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4304   -0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.5132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1604   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.7341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.4223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9705    1.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 16  2  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 25  1  0  0  0  0
 26 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0352268

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12C(=O)C=C(C)C[C@@]1(O)C[C@H](O)[C@]13O[C@]21C(=O)C1=CC=CC(O)=C1[C@@H]3O

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O7/c1-8-5-11(21)14-17(25,6-8)7-12(22)18-16(24)13-9(3-2-4-10(13)20)15(23)19(14,18)26-18/h2-5,12,14,16,20,22,24-25H,6-7H2,1H3/t12-,14-,16-,17+,18+,19-/m0/s1

> <INCHI_KEY>
RMPYDPGRTBCQBS-ONCFNHABSA-N

> <FORMULA>
C19H18O7

> <MOLECULAR_WEIGHT>
358.346

> <EXACT_MASS>
358.10525292

$$$$

HEADER    PROTEIN                                 06-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAR-23         0                                  
HETATM    1  H   UNK     0       2.016   0.206   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       1.512  -1.249   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.008  -2.704   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.016  -3.868   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.504  -2.995   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.512  -1.831   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.024  -2.122   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.008  -0.376   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.504  -0.085   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.504   1.079   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.008   1.370   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.520   1.661   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.024   3.117   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.529   0.497   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.537  -0.667   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.024  -0.958   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.033  -2.122   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.529  -3.577   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.545  -1.831   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.553  -2.995   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.065  -2.704   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.569  -1.249   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.561  -0.085   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.065   1.370   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.049  -0.376   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.041   0.788   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.545   2.243   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9   16                                             
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    2   10   11                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   26                                             
CONECT   15   14   16                                                       
CONECT   16   15    2   14   17                                             
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   19   26                                                  
CONECT   26   25   14   27                                                  
CONECT   27   26                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   62    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₈O₇

Average Mass

358.3460 Da

Monoisotopic Mass

358.10525 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12C(=O)C=C(C)C[C@@]1(O)C[C@H](O)[C@]13O[C@]21C(=O)C1=CC=CC(O)=C1[C@@H]3O

InChI Identifier

InChI=1S/C19H18O7/c1-8-5-11(21)14-17(25,6-8)7-12(22)18-16(24)13-9(3-2-4-10(13)20)15(23)19(14,18)26-18/h2-5,12,14,16,20,22,24-25H,6-7H2,1H3/t12-,14-,16-,17+,18+,19-/m0/s1

InChI Key

RMPYDPGRTBCQBS-ONCFNHABSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-05	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-05	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Saccharothrix sp. D09		Not Available

Chemical Taxonomy

Classification

Not classified

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

Not Available

References

General References

Showing NP-Card for Saccharothrixin D (NP0352268)

MOL for NP0352268 (Saccharothrixin D)

3D MOL for NP0352268 (Saccharothrixin D)

3D SDF for NP0352268 (Saccharothrixin D)

3D-SDF for NP0352268 (Saccharothrixin D)

PDB for NP0352268 (Saccharothrixin D)

3D PDB for NP0352268 (Saccharothrixin D)

SMILES for NP0352268 (Saccharothrixin D)

INCHI for NP0352268 (Saccharothrixin D)

Structure for NP0352268 (Saccharothrixin D)

3D Structure for NP0352268 (Saccharothrixin D)